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98406-62-3 | 4-Isoxazolecarbonylchloride, 2,3-dihydro-5-[(methylthio)methyl]-3-oxo-
CAS No: 98406-62-3 Catalog No: AG006SJW MDL No:
Product Description
Catalog Number:
AG006SJW
Chemical Name:
4-Isoxazolecarbonylchloride, 2,3-dihydro-5-[(methylthio)methyl]-3-oxo-
CAS Number:
98406-62-3
Molecular Formula:
C6H6ClNO3S
Molecular Weight:
207.6347
IUPAC Name:
5-(methylsulfanylmethyl)-3-oxo-1,2-oxazole-4-carbonyl chloride
InChI:
InChI=1S/C6H6ClNO3S/c1-12-2-3-4(5(7)9)6(10)8-11-3/h2H2,1H3,(H,8,10)
InChI Key:
IPIYBAYBOHDJGJ-UHFFFAOYSA-N
SMILES:
CSCc1o[nH]c(=O)c1C(=O)Cl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.976g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
207.628g/mol
Monoisotopic Mass:
206.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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