2-bromo-4-nitrobenzaldehyde

2-bromo-4-nitrobenzaldehyde

CAS: 5274-71-5

Formula: C7H4BrNO3

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

IUPAC: 2-bromo-4-nitrobenzaldehyde

InChI: InChI=1S/C7H4BrNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H

Composition: C (36.55%), H (1.75%), Br (34.74%), N (6.09%), O (20.87%)

Molar Mass: 230.017

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.937456
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XKDLLBUNDADXAA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.59
Topological Polar Surface Area	60.21
Polarizability	17.17
Ring Count	1
Rotatable Bond Count	2

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