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Home > Nitro Compounds > 25688-22-6
25688-22-6 | 1H-1,2,4-Triazole, 1-(2-nitrophenyl)-
CAS No: 25688-22-6 Catalog No: AG00I4WN MDL No:MFCD15146444
Product Description
Catalog Number:
AG00I4WN
Chemical Name:
1H-1,2,4-Triazole, 1-(2-nitrophenyl)-
CAS Number:
25688-22-6
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD15146444
IUPAC Name:
1-(2-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C8H6N4O2/c13-12(14)8-4-2-1-3-7(8)11-6-9-5-10-11/h1-6H
InChI Key:
VRTXNVSANZBXNW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1cncn1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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