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13567-19-6 | 3-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride
CAS No: 13567-19-6 Catalog No: AG01A5Y3 MDL No:MFCD19200322
Product Description
Catalog Number:
AG01A5Y3
Chemical Name:
3-(1,2-oxazol-5-yl)benzene-1-sulfonyl chloride
CAS Number:
13567-19-6
Molecular Formula:
C9H6ClNO3S
Molecular Weight:
243.6668
MDL Number:
MFCD19200322
IUPAC Name:
3-(1,2-oxazol-5-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C9H6ClNO3S/c10-15(12,13)8-3-1-2-7(6-8)9-4-5-11-14-9/h1-6H
InChI Key:
IMCKOKLNTSTPBX-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1cccc(c1)c1ccno1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.661g/mol
Monoisotopic Mass:
242.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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