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87488-71-9 | 2-(1,2-oxazol-4-yl)benzene-1-sulfonyl chloride
CAS No: 87488-71-9 Catalog No: AG01A4ZA MDL No:MFCD19201105
Product Description
Catalog Number:
AG01A4ZA
Chemical Name:
2-(1,2-oxazol-4-yl)benzene-1-sulfonyl chloride
CAS Number:
87488-71-9
Molecular Formula:
C9H6ClNO3S
Molecular Weight:
243.6668
MDL Number:
MFCD19201105
IUPAC Name:
2-(1,2-oxazol-4-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C9H6ClNO3S/c10-15(12,13)9-4-2-1-3-8(9)7-5-11-14-6-7/h1-6H
InChI Key:
HIJGTLBKCFNWSK-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)c1ccccc1c1conc1
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
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