4-bromo-2-chloro-5-nitrobenzoic acid

4-bromo-2-chloro-5-nitrobenzoic acid

CAS: 1157393-80-0

Formula: C7H3BrClNO4

SMILES: OC(=O)C1=C(Cl)C=C(Br)C(=C1)[N+]([O-])=O

IUPAC: 4-bromo-2-chloro-5-nitrobenzoic acid

InChI: InChI=1S/C7H3BrClNO4/c8-4-2-5(9)3(7(11)12)1-6(4)10(13)14/h1-2H,(H,11,12)

Composition: C (29.98%), H (1.08%), Br (28.49%), Cl (12.64%), N (4.99%), O (22.82%)

Molar Mass: 280.46

Atom Count: 17

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	278.893398
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XNZVBRCIKXICMI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.06
Topological Polar Surface Area	80.44
Polarizability	19.78
Ring Count	1
Rotatable Bond Count	2

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1157393-80-0		$189.75-$914.25$189.75$276.00$546.25$914.25