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2059965-98-7 | 4-[3-(propan-2-yl)-1,2-oxazol-5-yl]benzene-1-sulfonyl chloride
CAS No: 2059965-98-7 Catalog No: AG01BOIF MDL No:MFCD30499164
Product Description
Catalog Number:
AG01BOIF
Chemical Name:
4-[3-(propan-2-yl)-1,2-oxazol-5-yl]benzene-1-sulfonyl chloride
CAS Number:
2059965-98-7
Molecular Formula:
C12H12ClNO3S
Molecular Weight:
285.7466
MDL Number:
MFCD30499164
IUPAC Name:
4-(3-propan-2-yl-1,2-oxazol-5-yl)benzenesulfonyl chloride
InChI:
InChI=1S/C12H12ClNO3S/c1-8(2)11-7-12(17-14-11)9-3-5-10(6-4-9)18(13,15)16/h3-8H,1-2H3
InChI Key:
FKIRCJSDGPWJHD-UHFFFAOYSA-N
SMILES:
CC(c1noc(c1)c1ccc(cc1)S(=O)(=O)Cl)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.023g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.742g/mol
Monoisotopic Mass:
285.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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