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2059975-94-7 | 3-(4-methylphenyl)-1,2-oxazole-5-sulfonyl chloride
CAS No: 2059975-94-7 Catalog No: AG01BWAB MDL No:MFCD30476936
Product Description
Catalog Number:
AG01BWAB
Chemical Name:
3-(4-methylphenyl)-1,2-oxazole-5-sulfonyl chloride
CAS Number:
2059975-94-7
Molecular Formula:
C10H8ClNO3S
Molecular Weight:
257.6934
MDL Number:
MFCD30476936
IUPAC Name:
3-(4-methylphenyl)-1,2-oxazole-5-sulfonyl chloride
InChI:
InChI=1S/C10H8ClNO3S/c1-7-2-4-8(5-3-7)9-6-10(15-12-9)16(11,13)14/h2-6H,1H3
InChI Key:
PAFAETAMNCYCJY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)S(=O)(=O)Cl
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.688g/mol
Monoisotopic Mass:
256.991g/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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