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68039-14-5 | 4-ACETAMIDO-5-METHOXY-2-METHYLBENZENESULPHONYL CHLORIDE
CAS No: 68039-14-5 Catalog No: AG006GE6 MDL No:
Product Description
Catalog Number:
AG006GE6
Chemical Name:
4-ACETAMIDO-5-METHOXY-2-METHYLBENZENESULPHONYL CHLORIDE
CAS Number:
68039-14-5
Molecular Formula:
C10H12ClNO4S
Molecular Weight:
277.7246
IUPAC Name:
4-acetamido-5-methoxy-2-methylbenzenesulfonyl chloride
InChI:
InChI=1S/C10H12ClNO4S/c1-6-4-8(12-7(2)13)9(16-3)5-10(6)17(11,14)15/h4-5H,1-3H3,(H,12,13)
InChI Key:
XWRBAVORXAXIRN-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1NC(=O)C)C)S(=O)(=O)Cl
EC Number:
268-233-2
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.719g/mol
Monoisotopic Mass:
277.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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