1.0
2010-04-08 22:09:29 UTC
2015-07-20 22:38:23 UTC
FDB011150
Cloransulam-methyl
Pre- and post-emergence broad-leaved herbicide for use in soya beans
Cloransulam - methyl
Cloransulam-methyl [iso]
Cloransulam-methyl, BSI
First rate
XDE 565
C15H13ClFN5O5S
429.811
429.030995153
methyl 3-chloro-2-{5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamido}benzoate
cloransulam
147150-35-4
CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC
InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
BIKACRYIQSLICJ-UHFFFAOYSA-N
belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
Benzoic acid esters
Organic compounds
Benzenoids
Benzene and substituted derivatives
Benzoic acids and derivatives
Aromatic heteropolycyclic compounds
3-halobenzoic acids and derivatives
Alkyl aryl ethers
Aminosulfonyl compounds
Aryl chlorides
Aryl fluorides
Azacyclic compounds
Benzoyl derivatives
Chlorobenzenes
Halopyrimidines
Heteroaromatic compounds
Hydrocarbon derivatives
Methyl esters
Monocarboxylic acids and derivatives
Organic oxides
Organochlorides
Organofluorides
Organonitrogen compounds
Organopnictogen compounds
Organosulfonamides
Sulfanilides
Triazoles
Triazolopyrimidines
Vinylogous amides
1,2,4-triazole
3-halobenzoic acid or derivatives
Alkyl aryl ether
Aminosulfonyl compound
Aromatic heteropolycyclic compound
Aryl chloride
Aryl fluoride
Aryl halide
Azacycle
Azole
Benzoate ester
Benzoyl
Carboxylic acid derivative
Carboxylic acid ester
Chlorobenzene
Ether
Halobenzene
Halobenzoic acid or derivatives
Halopyrimidine
Heteroaromatic compound
Hydrocarbon derivative
Methyl ester
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organic oxide
Organic oxygen compound
Organic sulfonic acid or derivatives
Organochloride
Organofluoride
Organohalogen compound
Organoheterocyclic compound
Organonitrogen compound
Organooxygen compound
Organopnictogen compound
Organosulfonic acid amide
Organosulfonic acid or derivatives
Organosulfur compound
Pyrimidine
Sulfanilide
Sulfonyl
Triazole
Triazolopyrimidine
Vinylogous amide
Anilide herbicides
benzoate ester
logp
3.03
logs
-4.27
solubility
2.31e-02 g/l
melting_point
217 oC
logp
3.16
pka_strongest_acidic
7.05
pka_strongest_basic
-2
iupac
methyl 3-chloro-2-{5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamido}benzoate
average_mass
429.811
mono_mass
429.030995153
smiles
CCOC1=NC(F)=CC2=NC(=NN12)S(=O)(=O)NC1=C(C=CC=C1Cl)C(=O)OC
formula
C15H13ClFN5O5S
inchi
InChI=1S/C15H13ClFN5O5S/c1-3-27-15-18-10(17)7-11-19-14(20-22(11)15)28(24,25)21-12-8(13(23)26-2)5-4-6-9(12)16/h4-7,21H,3H2,1-2H3
inchikey
BIKACRYIQSLICJ-UHFFFAOYSA-N
polar_surface_area
124.78
refractivity
108.47
polarizability
38.66
rotatable_bond_count
6
acceptor_count
7
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::CMs
16672
Specdb::CMs
137684
Specdb::CMs
145418
Specdb::MsMs
82911
Specdb::MsMs
82912
Specdb::MsMs
82913
Specdb::MsMs
144399
Specdb::MsMs
144400
Specdb::MsMs
144401
Specdb::MsMs
2342277
Specdb::MsMs
2342278
Specdb::MsMs
2342279
Specdb::MsMs
2593783
Specdb::MsMs
2593784
Specdb::MsMs
2593785
HMDB33147
#<Reference:0x00005556761df688>