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Home > Nitro Compounds > 6219-52-9
6219-52-9 | 3-(4-Nitrophenyl)-1H-1,2,4-triazole
CAS No: 6219-52-9 Catalog No: AG00JBA3 MDL No:MFCD00101278
Product Description
Catalog Number:
AG00JBA3
Chemical Name:
3-(4-Nitrophenyl)-1H-1,2,4-triazole
CAS Number:
6219-52-9
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD00101278
IUPAC Name:
5-(4-nitrophenyl)-1H-1,2,4-triazole
InChI:
InChI=1S/C8H6N4O2/c13-12(14)7-3-1-6(2-4-7)8-9-5-10-11-8/h1-5H,(H,9,10,11)
InChI Key:
OIGIZPCMVZXYQC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1n[nH]cn1
Properties
Complexity:
210
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:
1
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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