(2-bromo-4-chlorophenyl)acetic acid

(2-bromo-4-chlorophenyl)acetic acid

CAS: 52864-56-9

Formula: C8H6BrClO2

SMILES: OC(=O)CC1=CC=C(Cl)C=C1Br

IUPAC: 2-(2-bromo-4-chlorophenyl)acetic acid

InChI: InChI=1S/C8H6BrClO2/c9-7-4-6(10)2-1-5(7)3-8(11)12/h1-2,4H,3H2,(H,11,12)

Composition: C (38.51%), H (2.42%), Br (32.03%), Cl (14.21%), O (12.83%)

Molar Mass: 249.49

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.92397
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	BWAQWLHENYXBOQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.79
Topological Polar Surface Area	37.3
Polarizability	19.4
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.72%	<7 Days	52864-56-9		$23.38-$1,714.79$23.38$43.01$91.63$343.15$1,714.79