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N-(4-bromophenyl)-2-nitroaniline

N-(4-bromophenyl)-2-nitroaniline

CAS: 58476-59-8

Formula: C12H9BrN2O2

SMILES: [O-][N+](=O)C1=CC=CC=C1NC1=CC=C(Br)C=C1

IUPAC: N-(4-bromophenyl)-2-nitroaniline

InChI: InChI=1S/C12H9BrN2O2/c13-9-5-7-10(8-6-9)14-11-3-1-2-4-12(11)15(16)17/h1-8,14H

Composition: C (49.17%), H (3.09%), Br (27.26%), N (9.56%), O (10.92%)

Molar Mass: 293.12

Atom Count: 26

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 291.984741
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GMFUKKONFZISMI-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 68.49
Topological Polar Surface Area 55.17
Polarizability 25.74
Ring Count 2
Rotatable Bond Count 3

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