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13632-08-1 | Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethyl-
CAS No: 13632-08-1 Catalog No: AG0011NL MDL No:MFCD08445689
Product Description
Catalog Number:
AG0011NL
Chemical Name:
Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethyl-
CAS Number:
13632-08-1
Molecular Formula:
C10H12ClNO3S
Molecular Weight:
261.7252
MDL Number:
MFCD08445689
IUPAC Name:
4-acetamido-2,5-dimethylbenzenesulfonyl chloride
InChI:
InChI=1S/C10H12ClNO3S/c1-6-5-10(16(11,14)15)7(2)4-9(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)
InChI Key:
JHXCPQSHKJZIOG-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(C)c(cc1C)S(=O)(=O)Cl
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.72g/mol
Monoisotopic Mass:
261.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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