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Home > Nitro Compounds > 29372-38-1
29372-38-1 | Benzonitrile, 2-[3-(2-nitrophenyl)-1-triazen-1-yl]-
CAS No: 29372-38-1 Catalog No: AG002Y7B MDL No:
Product Description
Catalog Number:
AG002Y7B
Chemical Name:
Benzonitrile, 2-[3-(2-nitrophenyl)-1-triazen-1-yl]-
CAS Number:
29372-38-1
Molecular Formula:
C13H9N5O2
Molecular Weight:
267.2429
IUPAC Name:
2-[2-(2-nitrophenyl)iminohydrazinyl]benzonitrile
InChI:
InChI=1S/C13H9N5O2/c14-9-10-5-1-2-6-11(10)15-17-16-12-7-3-4-8-13(12)18(19)20/h1-8H,(H,15,16)
InChI Key:
OYMMLZXDDVVFAO-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N=NNc1ccccc1[N+](=O)[O-]
NSC Number:
118750
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.248g/mol
Monoisotopic Mass:
267.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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