2-chloro-5-cyanobenzoic acid

2-chloro-5-cyanobenzoic acid

CAS: 89891-83-8

Formula: C8H4ClNO2

SMILES: OC(=O)C1=CC(=CC=C1Cl)C#N

IUPAC: 2-chloro-5-cyanobenzoic acid

InChI: InChI=1S/C8H4ClNO2/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3H,(H,11,12)

Composition: C (52.92%), H (2.22%), Cl (19.52%), N (7.71%), O (17.62%)

Molar Mass: 181.58

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	180.9930561
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OZNRJPYVSBAJLX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.84
Topological Polar Surface Area	61.09
Polarizability	16.46
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	89891-83-8		$113.49-$432.52$113.49$174.02$240.85$432.52