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Home > Nitro Compounds > 119192-09-5
119192-09-5 | 1H-1,2,4-Triazole, 1-[(4-nitrophenyl)methyl]-
CAS No: 119192-09-5 Catalog No: AG000IB7 MDL No:MFCD03840588
Product Description
Catalog Number:
AG000IB7
Chemical Name:
1H-1,2,4-Triazole, 1-[(4-nitrophenyl)methyl]-
CAS Number:
119192-09-5
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
MDL Number:
MFCD03840588
IUPAC Name:
1-[(4-nitrophenyl)methyl]-1,2,4-triazole
InChI:
InChI=1S/C9H8N4O2/c14-13(15)9-3-1-8(2-4-9)5-12-7-10-6-11-12/h1-4,6-7H,5H2
InChI Key:
NVRYCUYVBBCXHT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cn1ncnc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.065g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.189g/mol
Monoisotopic Mass:
204.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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