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Home > Nitro Compounds > 338407-90-2
338407-90-2 | N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CAS No: 338407-90-2 Catalog No: AG00IXXR MDL No:MFCD00142000
Product Description
Catalog Number:
AG00IXXR
Chemical Name:
N-(4-methylphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide
CAS Number:
338407-90-2
Molecular Formula:
C16H13N5O3
Molecular Weight:
323.3061
MDL Number:
MFCD00142000
IUPAC Name:
N-(4-methylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
InChI:
InChI=1S/C16H13N5O3/c1-11-2-5-13(6-3-11)19-16(22)12-4-7-14(15(8-12)21(23)24)20-10-17-9-18-20/h2-10H,1H3,(H,19,22)
InChI Key:
NOOMWTUYXIZYTF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cncn1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.102g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.312g/mol
Monoisotopic Mass:
323.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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