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309740-93-0

309740-93-0 | 1H-Pyrazole-3-carboxamide, 4-nitro-N-phenyl-

CAS No: 309740-93-0 Catalog No: AG0031SI MDL No:

Product Description

Catalog Number:
AG0031SI
Chemical Name:
1H-Pyrazole-3-carboxamide, 4-nitro-N-phenyl-
CAS Number:
309740-93-0
Molecular Formula:
C10H8N4O3
Molecular Weight:
232.1955
IUPAC Name:
4-nitro-N-phenyl-1H-pyrazole-5-carboxamide
InChI:
InChI=1S/C10H8N4O3/c15-10(12-7-4-2-1-3-5-7)9-8(14(16)17)6-11-13-9/h1-6H,(H,11,13)(H,12,15)
InChI Key:
NDNHDCHGOIFCAK-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]cc1[N+](=O)[O-])Nc1ccccc1

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.06g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
232.199g/mol
Monoisotopic Mass:
232.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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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