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1138-54-1 | Benzenesulfonyl chloride, 4-(2-methylpropoxy)-
CAS No: 1138-54-1 Catalog No: AG0009QF MDL No:MFCD09804087
Product Description
Catalog Number:
AG0009QF
Chemical Name:
Benzenesulfonyl chloride, 4-(2-methylpropoxy)-
CAS Number:
1138-54-1
Molecular Formula:
C10H13ClO3S
Molecular Weight:
248.7264
MDL Number:
MFCD09804087
IUPAC Name:
4-(2-methylpropoxy)benzenesulfonyl chloride
InChI:
InChI=1S/C10H13ClO3S/c1-8(2)7-14-9-3-5-10(6-4-9)15(11,12)13/h3-6,8H,7H2,1-2H3
InChI Key:
NHXWTFAPVNWYJI-UHFFFAOYSA-N
SMILES:
CC(COc1ccc(cc1)S(=O)(=O)Cl)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.721g/mol
Monoisotopic Mass:
248.027g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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