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Home > Nitro Compounds > 957002-73-2
957002-73-2 | 3-cyclopropyl-1-(2-nitrobenzenesulfonyl)-1H-pyrazole
CAS No: 957002-73-2 Catalog No: AG00IT24 MDL No:MFCD03305940
Product Description
Catalog Number:
AG00IT24
Chemical Name:
3-cyclopropyl-1-(2-nitrobenzenesulfonyl)-1H-pyrazole
CAS Number:
957002-73-2
Molecular Formula:
C12H11N3O4S
Molecular Weight:
293.2984
MDL Number:
MFCD03305940
IUPAC Name:
3-cyclopropyl-1-(2-nitrophenyl)sulfonylpyrazole
InChI:
InChI=1S/C12H11N3O4S/c16-15(17)11-3-1-2-4-12(11)20(18,19)14-8-7-10(13-14)9-5-6-9/h1-4,7-9H,5-6H2
InChI Key:
MHLCRQSOTLHLPV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)n1ccc(n1)C1CC1
Properties
Complexity:
480
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.047g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.297g/mol
Monoisotopic Mass:
293.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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