1-iodo-4-[(1E)-2-nitroethenyl]benzene

1-iodo-4-[(1E)-2-nitroethenyl]benzene

CAS: 5153-72-0

Formula: C8H6INO2

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

IUPAC: 1-iodo-4-[(1E)-2-nitroethenyl]benzene

InChI: InChI=1S/C8H6INO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5+

Composition: C (34.94%), H (2.20%), I (46.14%), N (5.09%), O (11.63%)

Molar Mass: 275.045

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	274.94432
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	PNICDNUSJRQMNP-AATRIKPKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.41
Topological Polar Surface Area	43.14
Polarizability	20.92
Ring Count	1
Rotatable Bond Count	2

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