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158580-94-0 | Benzoic acid, 2-amino-3,4-difluoro-
CAS No: 158580-94-0 Catalog No: AG001QAV MDL No:MFCD09743511
Product Description
Catalog Number:
AG001QAV
Chemical Name:
Benzoic acid, 2-amino-3,4-difluoro-
CAS Number:
158580-94-0
Molecular Formula:
C7H5F2NO2
Molecular Weight:
173.1169
MDL Number:
MFCD09743511
IUPAC Name:
2-amino-3,4-difluorobenzoic acid
InChI:
InChI=1S/C7H5F2NO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,10H2,(H,11,12)
InChI Key:
PRCKBMHGMGFYHG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)F)F
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
173.119g/mol
Monoisotopic Mass:
173.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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