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Home > Nitro Compounds > 321534-63-8
321534-63-8 | N-methyl-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS No: 321534-63-8 Catalog No: AG00IOQT MDL No:MFCD00141993
Product Description
Catalog Number:
AG00IOQT
Chemical Name:
N-methyl-3-nitro-4-(1H-pyrazol-1-yl)benzamide
CAS Number:
321534-63-8
Molecular Formula:
C11H10N4O3
Molecular Weight:
246.2221
MDL Number:
MFCD00141993
IUPAC Name:
N-methyl-3-nitro-4-pyrazol-1-ylbenzamide
InChI:
InChI=1S/C11H10N4O3/c1-12-11(16)8-3-4-9(10(7-8)15(17)18)14-6-2-5-13-14/h2-7H,1H3,(H,12,16)
InChI Key:
VQRQIBOJMSTZJT-UHFFFAOYSA-N
SMILES:
CNC(=O)c1ccc(c(c1)[N+](=O)[O-])n1cccn1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.226g/mol
Monoisotopic Mass:
246.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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