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Home > Nitro Compounds > 168968-51-2
168968-51-2 | 4-Methyl-3-(3-nitrophenyl)-4H-1,2,4-triazole
CAS No: 168968-51-2 Catalog No: AG00HZ9G MDL No:MFCD01990304
Product Description
Catalog Number:
AG00HZ9G
Chemical Name:
4-Methyl-3-(3-nitrophenyl)-4H-1,2,4-triazole
CAS Number:
168968-51-2
Molecular Formula:
C9H8N4O2
Molecular Weight:
204.1854
MDL Number:
MFCD01990304
IUPAC Name:
4-methyl-3-(3-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C9H8N4O2/c1-12-6-10-11-9(12)7-3-2-4-8(5-7)13(14)15/h2-6H,1H3
InChI Key:
QXWWRCQULISQCV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)c1nncn1C
Properties
Complexity:
243
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:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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