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85276-41-1 | BENZENESULFONYL CHLORIDE, 5-ACETYL-2-METHOXY-
CAS No: 85276-41-1 Catalog No: AG004UZ1 MDL No:MFCD06253614
Product Description
Catalog Number:
AG004UZ1
Chemical Name:
BENZENESULFONYL CHLORIDE, 5-ACETYL-2-METHOXY-
CAS Number:
85276-41-1
Molecular Formula:
C9H9ClO4S
Molecular Weight:
248.6834
MDL Number:
MFCD06253614
IUPAC Name:
5-acetyl-2-methoxybenzenesulfonyl chloride
InChI:
InChI=1S/C9H9ClO4S/c1-6(11)7-3-4-8(14-2)9(5-7)15(10,12)13/h3-5H,1-2H3
InChI Key:
UKLGNNCUSXYNLE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)Cl)C(=O)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.677g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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