4-cyano-2,3-difluorobenzoic acid

4-cyano-2,3-difluorobenzoic acid

CAS: 1033997-04-4

Formula: C8H3F2NO2

SMILES: OC(=O)C1=CC=C(C#N)C(F)=C1F

IUPAC: 4-cyano-2,3-difluorobenzoic acid

InChI: InChI=1S/C8H3F2NO2/c9-6-4(3-11)1-2-5(7(6)10)8(12)13/h1-2H,(H,12,13)

Composition: C (52.47%), H (1.65%), F (20.75%), N (7.65%), O (17.47%)

Molar Mass: 183.114

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	183.013184667
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VJAVLRNWDQDQPP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.47
Topological Polar Surface Area	61.09
Polarizability	14.14
Ring Count	1
Rotatable Bond Count	1

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