3-(difluoromethoxy)benzoic acid

3-(difluoromethoxy)benzoic acid

CAS: 4837-19-8

Formula: C8H6F2O3

SMILES: OC(=O)C1=CC(OC(F)F)=CC=C1

IUPAC: 3-(difluoromethoxy)benzoic acid

InChI: InChI=1S/C8H6F2O3/c9-8(10)13-6-3-1-2-5(4-6)7(11)12/h1-4,8H,(H,11,12)

Composition: C (51.08%), H (3.21%), F (20.20%), O (25.51%)

Molar Mass: 188.13

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.028500379
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OKKDGIXOKWOMRD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.79
Topological Polar Surface Area	46.53
Polarizability	14.89
Ring Count	1
Rotatable Bond Count	3

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