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883146-09-6 | Benzenesulfonyl chloride, 4-(1-methyl-1H-pyrazol-4-yl)-
CAS No: 883146-09-6 Catalog No: AG0047RU MDL No:
Product Description
Catalog Number:
AG0047RU
Chemical Name:
Benzenesulfonyl chloride, 4-(1-methyl-1H-pyrazol-4-yl)-
CAS Number:
883146-09-6
Molecular Formula:
C10H9ClN2O2S
Molecular Weight:
256.7087
IUPAC Name:
4-(1-methylpyrazol-4-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C10H9ClN2O2S/c1-13-7-9(6-12-13)8-2-4-10(5-3-8)16(11,14)15/h2-7H,1H3
InChI Key:
QAUCTDBYRKXERD-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.704g/mol
Monoisotopic Mass:
256.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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