1-bromo-3-[(1E)-2-nitroethenyl]benzene

1-bromo-3-[(1E)-2-nitroethenyl]benzene

CAS: 115665-95-7

Formula: C8H6BrNO2

SMILES: [O-][N+](=O)C=CC1=CC=CC(Br)=C1

IUPAC: 1-bromo-3-[(1E)-2-nitroethenyl]benzene

InChI: InChI=1S/C8H6BrNO2/c9-8-3-1-2-7(6-8)4-5-10(11)12/h1-6H/b5-4+

Composition: C (42.14%), H (2.65%), Br (35.04%), N (6.14%), O (14.03%)

Molar Mass: 228.045

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	226.958191
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NWHBBZILZXZIBO-SNAWJCMRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.67
Topological Polar Surface Area	43.14
Polarizability	18.56
Ring Count	1
Rotatable Bond Count	2

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