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Home > Nitro Compounds > 1212061-06-7
1212061-06-7 | 4-Benzyl-3-(4-nitrophenyl)-4H-1,2,4-triazole
CAS No: 1212061-06-7 Catalog No: AG00HG0Q MDL No:MFCD13704140
Product Description
Catalog Number:
AG00HG0Q
Chemical Name:
4-Benzyl-3-(4-nitrophenyl)-4H-1,2,4-triazole
CAS Number:
1212061-06-7
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
MDL Number:
MFCD13704140
IUPAC Name:
4-benzyl-3-(4-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C15H12N4O2/c20-19(21)14-8-6-13(7-9-14)15-17-16-11-18(15)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChI Key:
OFBBDRWCMGTHJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nncn1Cc1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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