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120133-62-2 | Benzenesulfonyl chloride, 4-[5-(4-methoxyphenyl)-2-oxazolyl]-
CAS No: 120133-62-2 Catalog No: AG000QDM MDL No:
Product Description
Catalog Number:
AG000QDM
Chemical Name:
Benzenesulfonyl chloride, 4-[5-(4-methoxyphenyl)-2-oxazolyl]-
CAS Number:
120133-62-2
Molecular Formula:
C16H12ClNO4S
Molecular Weight:
349.7888
IUPAC Name:
4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzenesulfonyl chloride
InChI:
InChI=1S/C16H12ClNO4S/c1-21-13-6-2-11(3-7-13)15-10-18-16(22-15)12-4-8-14(9-5-12)23(17,19)20/h2-10H,1H3
InChI Key:
OJDKIQDCHWIDMM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cnc(o1)c1ccc(cc1)S(=O)(=O)Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.018g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.785g/mol
Monoisotopic Mass:
349.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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