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Home > Nitro Compounds > 338408-00-7
338408-00-7 | N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CAS No: 338408-00-7 Catalog No: AG00IPDG MDL No:MFCD00142092
Product Description
Catalog Number:
AG00IPDG
Chemical Name:
N-(3-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CAS Number:
338408-00-7
Molecular Formula:
C16H13N5O4
Molecular Weight:
339.3055
MDL Number:
MFCD00142092
IUPAC Name:
N-(3-methoxyphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
InChI:
InChI=1S/C16H13N5O4/c1-25-13-4-2-3-12(8-13)19-16(22)11-5-6-14(15(7-11)21(23)24)20-10-17-9-18-20/h2-10H,1H3,(H,19,22)
InChI Key:
HVRUITTYWYPZQL-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cncn1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.097g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.311g/mol
Monoisotopic Mass:
339.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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