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89661-21-2 | 3(2H)-Isoxazolone, 4-iodo-5-[(methylthio)methyl]-
CAS No: 89661-21-2 Catalog No: AG0044WV MDL No:
Product Description
Catalog Number:
AG0044WV
Chemical Name:
3(2H)-Isoxazolone, 4-iodo-5-[(methylthio)methyl]-
CAS Number:
89661-21-2
Molecular Formula:
C5H6INO2S
Molecular Weight:
271.0761
IUPAC Name:
4-iodo-5-(methylsulfanylmethyl)-1,2-oxazol-3-one
InChI:
InChI=1S/C5H6INO2S/c1-10-2-3-4(6)5(8)7-9-3/h2H2,1H3,(H,7,8)
InChI Key:
LTSVTPOVVZSTMB-UHFFFAOYSA-N
SMILES:
CSCc1o[nH]c(=O)c1I
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.916g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.072g/mol
Monoisotopic Mass:
270.916g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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