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18336-39-5 | Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)-
CAS No: 18336-39-5 Catalog No: AG0027IV MDL No:MFCD02681937
Product Description
Catalog Number:
AG0027IV
Chemical Name:
Benzenesulfonyl chloride, 4-(1H-pyrazol-1-yl)-
CAS Number:
18336-39-5
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
MDL Number:
MFCD02681937
IUPAC Name:
4-pyrazol-1-ylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H7ClN2O2S/c10-15(13,14)9-4-2-8(3-5-9)12-7-1-6-11-12/h1-7H
InChI Key:
AHXRGFFTKHQGOE-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccc(cc1)n1cccn1
Properties
Complexity:
307
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
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