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Home > Nitro Compounds > 825621-98-5
825621-98-5 | 1H-Pyrazole-3-carboxamide, 4-nitro-N-(2-oxo-2-phenylethyl)-
CAS No: 825621-98-5 Catalog No: AG005DTN MDL No:
Product Description
Catalog Number:
AG005DTN
Chemical Name:
1H-Pyrazole-3-carboxamide, 4-nitro-N-(2-oxo-2-phenylethyl)-
CAS Number:
825621-98-5
Molecular Formula:
C12H10N4O4
Molecular Weight:
274.2322
IUPAC Name:
4-nitro-N-phenacyl-1H-pyrazole-5-carboxamide
InChI:
InChI=1S/C12H10N4O4/c17-10(8-4-2-1-3-5-8)7-13-12(18)11-9(16(19)20)6-14-15-11/h1-6H,7H2,(H,13,18)(H,14,15)
InChI Key:
IZKCMWITYPSOOZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CNC(=O)c1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.236g/mol
Monoisotopic Mass:
274.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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