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Home > Nitro Compounds > 169139-54-2
169139-54-2 | Diazene, 1-(nitromethyl)-2-phenyl-
CAS No: 169139-54-2 Catalog No: AG001YI9 MDL No:
Product Description
Catalog Number:
AG001YI9
Chemical Name:
Diazene, 1-(nitromethyl)-2-phenyl-
CAS Number:
169139-54-2
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
IUPAC Name:
nitromethyl(phenyl)diazene
InChI:
InChI=1S/C7H7N3O2/c11-10(12)6-8-9-7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:
BLUAOQCAMQUCJW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CN=Nc1ccccc1
NSC Number:
520424
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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