4-chloro-2-fluoro-6-methoxybenzoic acid

4-chloro-2-fluoro-6-methoxybenzoic acid

CAS: 1082042-25-8

Formula: C8H6ClFO3

SMILES: COC1=CC(Cl)=CC(F)=C1C(O)=O

IUPAC: 4-chloro-2-fluoro-6-methoxybenzoic acid

InChI: InChI=1S/C8H6ClFO3/c1-13-6-3-4(9)2-5(10)7(6)8(11)12/h2-3H,1H3,(H,11,12)

Composition: C (46.97%), H (2.96%), Cl (17.33%), F (9.29%), O (23.46%)

Molar Mass: 204.58

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	203.9989499
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JLZRFRKBYNNGKJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.8
Topological Polar Surface Area	46.53
Polarizability	16.96
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1082042-25-8		$116.01-$432.52$116.01$174.02$432.52