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1-azido-3-nitrobenzene

1-azido-3-nitrobenzene

CAS: 1516-59-2

Formula: C6H4N4O2

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

IUPAC: 1-azido-3-nitrobenzene

InChI: InChI=1S/C6H4N4O2/c7-9-8-5-2-1-3-6(4-5)10(11)12/h1-4H

Composition: C (43.91%), H (2.46%), N (34.14%), O (19.50%)

Molar Mass: 164.124

Atom Count: 16

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 164.033425385
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AMLBZFBNQYJIRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.67
Topological Polar Surface Area 72.57
Polarizability 14.54
Ring Count 1
Rotatable Bond Count 2

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