1.0
2020-04-06 11:04:09 UTC
2020-04-06 23:43:20 UTC
FDB111662
2,2,2-Trichloroethanol
C2H3Cl3O
149.404
147.924947839
2,2,2-trichloroethan-1-ol
trichloroethanol
OCC(Cl)(Cl)Cl
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
KPWDGTGXUYRARH-UHFFFAOYSA-N
logp
1.23
logs
-0.95
solubility
1.69e+01 g/l
logp
1.06
pka_strongest_acidic
12.51
pka_strongest_basic
-3.9
iupac
2,2,2-trichloroethan-1-ol
average_mass
149.404
mono_mass
147.924947839
smiles
OCC(Cl)(Cl)Cl
formula
C2H3Cl3O
inchi
InChI=1S/C2H3Cl3O/c3-2(4,5)1-6/h6H,1H2
inchikey
KPWDGTGXUYRARH-UHFFFAOYSA-N
polar_surface_area
20.23
refractivity
28.22
polarizability
11.25
rotatable_bond_count
1
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::MsIr
9372
Specdb::MsIr
9373
Specdb::MsIr
9374
Specdb::CMs
26298
Specdb::CMs
47562
Specdb::CMs
160333
Specdb::MsMs
54153
Specdb::MsMs
54154
Specdb::MsMs
54155
Specdb::MsMs
139575
Specdb::MsMs
139576
Specdb::MsMs
139577
Specdb::MsMs
2846465
Specdb::MsMs
2846466
Specdb::MsMs
2846467
Specdb::MsMs
2862568
Specdb::MsMs
2862569
Specdb::MsMs
2862570
Specdb::NmrOneD
49882
Specdb::NmrOneD
49883
Specdb::NmrOneD
49884
Specdb::NmrOneD
49885
Specdb::NmrOneD
49886
Specdb::NmrOneD
49887
Specdb::NmrOneD
49888
Specdb::NmrOneD
49889
Specdb::NmrOneD
49890
Specdb::NmrOneD
49891
Specdb::NmrOneD
49892
Specdb::NmrOneD
49893
Specdb::NmrOneD
49894
Specdb::NmrOneD
49895
Specdb::NmrOneD
49896
Specdb::NmrOneD
49897
Specdb::NmrOneD
49898
Specdb::NmrOneD
49899
Specdb::NmrOneD
49900
Specdb::NmrOneD
49901
Anatidae
Type 1
specific
Anatidae
8830
Beefalo
Type 1
specific
Bos taurus X Bison bison
297284
Bison
Type 1
specific
Bison bison
9901
Buffalo
Type 1
specific
Bubalus bubalis
89462
Cattle (Beef, Veal)
Type 1
specific
Bos taurus
9913
Chicken
Type 1
specific
Gallus gallus
9031
Columbidae (Dove, Pigeon)
Type 1
specific
Columbidae
8930
Deer
Type 1
specific
Cervidae
9850
Domestic goat
Type 1
specific
Capra aegagrus hircus
9925
Domestic pig
Type 1
specific
Sus scrofa domestica
9825
Elk
Type 1
specific
Cervus canadensis
1574408
Emu
Type 1
specific
Dromaius novaehollandiae
8790
European rabbit
Type 1
specific
Oryctolagus
9984
Greylag goose
Type 1
specific
Anser anser
8843
Guinea hen
Type 1
specific
Numida meleagris
8996
Horse
Type 1
specific
Equus caballus
9796
Mallard duck
Type 1
specific
Anas platyrhynchos
8839
Mountain hare
Type 1
specific
Lepus timidus
62621
Mule deer
Type 1
specific
Odocoileus
9871
Ostrich
Type 1
specific
Struthio camelus
8801
Pheasant
Type 1
specific
Phasianus colchicus
9054
Quail
Type 1
specific
Phasianidae
9005
Rabbit
Type 1
specific
Leporidae
9979
Rock ptarmigan
Type 1
specific
Lagopus muta
64668
Sheep (Mutton, Lamb)
Type 1
specific
Ovis aries
9940
Squab
Type 1
specific
Columba
8931
Turkey
Type 1
specific
Meleagris gallopavo
9103
Velvet duck
Type 1
specific
Melanitta fusca
371864
Wild boar
Type 1
specific
Sus scrofa
9823