3-bromo-2-chloro-5-cyanobenzoic acid

3-bromo-2-chloro-5-cyanobenzoic acid

CAS: 1805104-36-2

Formula: C8H3BrClNO2

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

IUPAC: 3-bromo-2-chloro-5-cyanobenzoic acid

InChI: InChI=1S/C8H3BrClNO2/c9-6-2-4(3-11)1-5(7(6)10)8(12)13/h1-2H,(H,12,13)

Composition: C (36.89%), H (1.16%), Br (30.68%), Cl (13.61%), N (5.38%), O (12.28%)

Molar Mass: 260.47

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	258.903569
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	GFJPXHWGNUTVHN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.46
Topological Polar Surface Area	61.09
Polarizability	19.5
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1805104-36-2		$100.88-$380.82$100.88$150.06$380.82