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2154-81-6 | 4-(3,5-dimethyl-4-isoxazolyl)benzenesulfonyl chloride
CAS No: 2154-81-6 Catalog No: AG00J2GL MDL No:MFCD16340726
Product Description
Catalog Number:
AG00J2GL
Chemical Name:
4-(3,5-dimethyl-4-isoxazolyl)benzenesulfonyl chloride
CAS Number:
2154-81-6
Molecular Formula:
C11H10ClNO3S
Molecular Weight:
271.7200
MDL Number:
MFCD16340726
IUPAC Name:
4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C11H10ClNO3S/c1-7-11(8(2)16-13-7)9-3-5-10(6-4-9)17(12,14)15/h3-6H,1-2H3
InChI Key:
QJYNNCTYXNVRBN-UHFFFAOYSA-N
SMILES:
Cc1onc(c1c1ccc(cc1)S(=O)(=O)Cl)C
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.715g/mol
Monoisotopic Mass:
271.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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