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13279-58-8 | Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethoxy-
CAS No: 13279-58-8 Catalog No: AG00116T MDL No:
Product Description
Catalog Number:
AG00116T
Chemical Name:
Benzenesulfonyl chloride, 4-(acetylamino)-2,5-dimethoxy-
CAS Number:
13279-58-8
Molecular Formula:
C10H12ClNO5S
Molecular Weight:
293.7240
IUPAC Name:
4-acetamido-2,5-dimethoxybenzenesulfonyl chloride
InChI:
InChI=1S/C10H12ClNO5S/c1-6(13)12-7-4-9(17-3)10(18(11,14)15)5-8(7)16-2/h4-5H,1-3H3,(H,12,13)
InChI Key:
QMJIZLZFBGRSAS-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1NC(=O)C)OC)S(=O)(=O)Cl
EC Number:
236-279-2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.718g/mol
Monoisotopic Mass:
293.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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