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Home > Nitro Compounds > 326619-24-3
326619-24-3 | 3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
CAS No: 326619-24-3 Catalog No: AG00IY0O MDL No:MFCD00451516
Product Description
Catalog Number:
AG00IY0O
Chemical Name:
3-nitro-N-(4H-1,2,4-triazol-4-yl)benzamide
CAS Number:
326619-24-3
Molecular Formula:
C9H7N5O3
Molecular Weight:
233.1836
MDL Number:
MFCD00451516
IUPAC Name:
3-nitro-N-(1,2,4-triazol-4-yl)benzamide
InChI:
InChI=1S/C9H7N5O3/c15-9(12-13-5-10-11-6-13)7-2-1-3-8(4-7)14(16)17/h1-6H,(H,12,15)
InChI Key:
NXIBPLVJFDWATM-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nn1cnnc1
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.055g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.187g/mol
Monoisotopic Mass:
233.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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