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89660-92-4 | 3(2H)-Isoxazolone, 4-chloro-5-[(methylthio)methyl]-
CAS No: 89660-92-4 Catalog No: AG0043UE MDL No:
Product Description
Catalog Number:
AG0043UE
Chemical Name:
3(2H)-Isoxazolone, 4-chloro-5-[(methylthio)methyl]-
CAS Number:
89660-92-4
Molecular Formula:
C5H6ClNO2S
Molecular Weight:
179.6246
IUPAC Name:
4-chloro-5-(methylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C5H6ClNO2S/c1-10-2-3-4(6)5(8)7-9-3/h2H2,1H3,(H,7,8)
InChI Key:
QNWHZFJQZKVOKJ-UHFFFAOYSA-N
SMILES:
CSCc1o[nH]c(=O)c1Cl
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.981g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.618g/mol
Monoisotopic Mass:
178.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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