2-amino-3,4-difluorobenzoic acid

2-amino-3,4-difluorobenzoic acid

CAS: 158580-94-0

Formula: C7H5F2NO2

SMILES: NC1=C(C=CC(F)=C1F)C(O)=O

IUPAC: 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)

Composition: C (48.57%), H (2.91%), F (21.95%), N (8.09%), O (18.48%)

Molar Mass: 173.119

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.028834731
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PRCKBMHGMGFYHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.45
Topological Polar Surface Area	63.32
Polarizability	13.45
Ring Count	1
Rotatable Bond Count	1

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