3-cyano-5-fluorobenzoic acid

3-cyano-5-fluorobenzoic acid

CAS: 327056-74-6

Formula: C8H4FNO2

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

IUPAC: 3-cyano-5-fluorobenzoic acid

InChI: InChI=1S/C8H4FNO2/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H,11,12)

Composition: C (58.19%), H (2.44%), F (11.51%), N (8.48%), O (19.38%)

Molar Mass: 165.123

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	165.022606536
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HADZSOZVTCEMNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.25
Topological Polar Surface Area	61.09
Polarizability	14.28
Ring Count	1
Rotatable Bond Count	1

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