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Home > Nitro Compounds > 321570-87-0
321570-87-0 | N-(4-methylphenyl)-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS No: 321570-87-0 Catalog No: AG00ISL5 MDL No:MFCD00142099
Product Description
Catalog Number:
AG00ISL5
Chemical Name:
N-(4-methylphenyl)-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS Number:
321570-87-0
Molecular Formula:
C17H14N4O3
Molecular Weight:
322.3181
MDL Number:
MFCD00142099
IUPAC Name:
N-(4-methylphenyl)-3-nitro-4-pyrazol-1-ylbenzamide
InChI:
InChI=1S/C17H14N4O3/c1-12-3-6-14(7-4-12)19-17(22)13-5-8-15(16(11-13)21(23)24)20-10-2-9-18-20/h2-11H,1H3,(H,19,22)
InChI Key:
MCCHURHSWUEPDH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cccn1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.107g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.324g/mol
Monoisotopic Mass:
322.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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