5-chloro-2,4-difluorobenzoic acid

5-chloro-2,4-difluorobenzoic acid

CAS: 130025-33-1

Formula: C7H3ClF2O2

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

IUPAC: 5-chloro-2,4-difluorobenzoic acid

InChI: InChI=1S/C7H3ClF2O2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,(H,11,12)

Composition: C (43.67%), H (1.57%), Cl (18.41%), F (19.73%), O (16.62%)

Molar Mass: 192.55

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.9789634
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VXBQLSVFGIFOPQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.55
Topological Polar Surface Area	37.3
Polarizability	14.29
Ring Count	1
Rotatable Bond Count	1

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