Home Sulfos 1-phenyl-1H-pyrazole-5-sulfonyl chloride

1-phenyl-1H-pyrazole-5-sulfonyl chloride

CAS No.:
1703008-09-6
Catalog Number:
AG01B3TA
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
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Product Description
Catalog Number:
AG01B3TA
Chemical Name:
1-phenyl-1H-pyrazole-5-sulfonyl chloride
CAS Number:
1703008-09-6
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
MDL Number:
MFCD31718378
IUPAC Name:
2-phenylpyrazole-3-sulfonyl chloride
InChI:
InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H
InChI Key:
QJYPNCIPUUCDFM-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccnn1c1ccccc1
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.677g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties