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Home > Nitro Compounds > 14575-21-4
14575-21-4 | 1-Triazene, 1-(4-methylphenyl)-3-(4-nitrophenyl)-
CAS No: 14575-21-4 Catalog No: AG001DDE MDL No:
Product Description
Catalog Number:
AG001DDE
Chemical Name:
1-Triazene, 1-(4-methylphenyl)-3-(4-nitrophenyl)-
CAS Number:
14575-21-4
Molecular Formula:
C13H12N4O2
Molecular Weight:
256.2600
IUPAC Name:
4-methyl-N-[(4-nitrophenyl)diazenyl]aniline
InChI:
InChI=1S/C13H12N4O2/c1-10-2-4-11(5-3-10)14-16-15-12-6-8-13(9-7-12)17(18)19/h2-9H,1H3,(H,14,15)
InChI Key:
BXQVXQCTLSFXLT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)N=NNc1ccc(cc1)[N+](=O)[O-]
NSC Number:
69813
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.265g/mol
Monoisotopic Mass:
256.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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