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14988-21-7 | Benzenesulfonyl chloride, 4-(acetylamino)-3-methyl-
CAS No: 14988-21-7 Catalog No: AG001M3I MDL No:
Product Description
Catalog Number:
AG001M3I
Chemical Name:
Benzenesulfonyl chloride, 4-(acetylamino)-3-methyl-
CAS Number:
14988-21-7
Molecular Formula:
C9H10ClNO3S
Molecular Weight:
247.6986
IUPAC Name:
4-acetamido-3-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C9H10ClNO3S/c1-6-5-8(15(10,13)14)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChI Key:
PTQIUVQLPQCNMB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cc1C)S(=O)(=O)Cl
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.693g/mol
Monoisotopic Mass:
247.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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