4-bromo-3-nitrophenylboronic acid

4-bromo-3-nitrophenylboronic acid

CAS: 74386-13-3

Formula: C6H5BBrNO4

SMILES: OB(O)C1=CC=C(Br)C(=C1)[N+]([O-])=O

IUPAC: (4-bromo-3-nitrophenyl)boronic acid

InChI: InChI=1S/C6H5BBrNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3,10-11H

Composition: C (29.32%), H (2.05%), B (4.40%), Br (32.50%), N (5.70%), O (26.03%)

Molar Mass: 245.82

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	244.949501
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ACFLUOVNZOLXAZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.55
Topological Polar Surface Area	83.6
Polarizability	18.5
Ring Count	1
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	74386-13-3		$382.95$382.95