2-amino-5-bromo-3-chlorobenzoic acid

2-amino-5-bromo-3-chlorobenzoic acid

CAS: 58026-21-4

Formula: C7H5BrClNO2

SMILES: NC1=C(C=C(Br)C=C1Cl)C(O)=O

IUPAC: 2-amino-5-bromo-3-chlorobenzoic acid

InChI: InChI=1S/C7H5BrClNO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,10H2,(H,11,12)

Composition: C (33.57%), H (2.01%), Br (31.90%), Cl (14.15%), N (5.59%), O (12.77%)

Molar Mass: 250.48

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.919219
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WYPQWEYJRBPSKL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.44
Topological Polar Surface Area	63.32
Polarizability	18.78
Ring Count	1
Rotatable Bond Count	1

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	58026-21-4		$138.00-$1,144.25$138.00$195.50$713.00$1,144.25