4-chloro-2-(difluoromethoxy)benzoic acid

4-chloro-2-(difluoromethoxy)benzoic acid

CAS: 97914-60-8

Formula: C8H5ClF2O3

SMILES: OC(=O)C1=CC=C(Cl)C=C1OC(F)F

IUPAC: 4-chloro-2-(difluoromethoxy)benzoic acid

InChI: InChI=1S/C8H5ClF2O3/c9-4-1-2-5(7(12)13)6(3-4)14-8(10)11/h1-3,8H,(H,12,13)

Composition: C (43.17%), H (2.26%), Cl (15.93%), F (17.07%), O (21.56%)

Molar Mass: 222.57

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	221.989528
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HGASHYZSZYKNEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.59
Topological Polar Surface Area	46.53
Polarizability	16.9
Ring Count	1
Rotatable Bond Count	3

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