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918107-99-0 | 3(2H)-Isothiazolone, 2-[[3-(2-furanyl)phenyl]methyl]-
CAS No: 918107-99-0 Catalog No: AG006LO9 MDL No:
Product Description
Catalog Number:
AG006LO9
Chemical Name:
3(2H)-Isothiazolone, 2-[[3-(2-furanyl)phenyl]methyl]-
CAS Number:
918107-99-0
Molecular Formula:
C14H11NO2S
Molecular Weight:
257.3076
IUPAC Name:
2-[[3-(furan-2-yl)phenyl]methyl]-1,2-thiazol-3-one
InChI:
InChI=1S/C14H11NO2S/c16-14-6-8-18-15(14)10-11-3-1-4-12(9-11)13-5-2-7-17-13/h1-9H,10H2
InChI Key:
AQMQLLNNIQWQOO-UHFFFAOYSA-N
SMILES:
O=c1ccsn1Cc1cccc(c1)c1ccco1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.307g/mol
Monoisotopic Mass:
257.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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