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857283-56-8 | 5-METHYL-3-PHENYL-4-ISOXAZOLESULFONYL CHLORIDE
CAS No: 857283-56-8 Catalog No: AG004SEF MDL No:MFCD06658966
Product Description
Catalog Number:
AG004SEF
Chemical Name:
5-METHYL-3-PHENYL-4-ISOXAZOLESULFONYL CHLORIDE
CAS Number:
857283-56-8
Molecular Formula:
C10H8ClNO3S
Molecular Weight:
257.6934
MDL Number:
MFCD06658966
IUPAC Name:
5-methyl-3-phenyl-1,2-oxazole-4-sulfonyl chloride
InChI:
InChI=1S/C10H8ClNO3S/c1-7-10(16(11,13)14)9(12-15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
GXQBTNFENYVPFM-UHFFFAOYSA-N
SMILES:
Cc1onc(c1S(=O)(=O)Cl)c1ccccc1
Properties
Complexity:
335
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:
2.5
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