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1196151-13-9 | Benzoic acid, 6-aMino-2,3,4-trifluoro-
CAS No: 1196151-13-9 Catalog No: AG000PAL MDL No:MFCD09743516
Product Description
Catalog Number:
AG000PAL
Chemical Name:
Benzoic acid, 6-aMino-2,3,4-trifluoro-
CAS Number:
1196151-13-9
Molecular Formula:
C7H4F3NO2
Molecular Weight:
191.1074
MDL Number:
MFCD09743516
IUPAC Name:
6-amino-2,3,4-trifluorobenzoic acid
InChI:
InChI=1S/C7H4F3NO2/c8-2-1-3(11)4(7(12)13)6(10)5(2)9/h1H,11H2,(H,12,13)
InChI Key:
NPOKVVQMFRQBAO-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)cc(c(c1F)F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
191.109g/mol
Monoisotopic Mass:
191.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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