2-chloro-3-fluoro-5-methylbenzoic acid

2-chloro-3-fluoro-5-methylbenzoic acid

Formula: C8H6ClFO2

SMILES: CC1=CC(C(O)=O)=C(Cl)C(F)=C1

IUPAC: 2-chloro-3-fluoro-5-methylbenzoic acid

InChI: InChI=1S/C8H6ClFO2/c1-4-2-5(8(11)12)7(9)6(10)3-4/h2-3H,1H3,(H,11,12)

Composition: C (50.95%), H (3.21%), Cl (18.80%), F (10.07%), O (16.97%)

Molar Mass: 188.58

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	188.0040353
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BPCCDJJKKDAAIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.38
Topological Polar Surface Area	37.3
Polarizability	16.16
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H6ClFO2		Quote Only