3-bromo-4-nitroaniline

3-bromo-4-nitroaniline

CAS: 40787-96-0

Formula: C6H5BrN2O2

SMILES: NC1=CC(Br)=C(C=C1)[N+]([O-])=O

IUPAC: 3-bromo-4-nitroaniline

InChI: InChI=1S/C6H5BrN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2

Composition: C (33.21%), H (2.32%), Br (36.82%), N (12.91%), O (14.74%)

Molar Mass: 217.022

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.95344
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RLAIFIDRVAAEBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.7
Topological Polar Surface Area	69.16
Polarizability	16.38
Ring Count	1
Rotatable Bond Count	1

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Kinentia Biosciences LLC

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	40787-96-0		$94.50-$354.38$94.50$354.38