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918107-67-2 | 3(2H)-Isothiazolone, 2-[(2,3-dihydro-5-benzofuranyl)methyl]-
CAS No: 918107-67-2 Catalog No: AG006LOJ MDL No:
Product Description
Catalog Number:
AG006LOJ
Chemical Name:
3(2H)-Isothiazolone, 2-[(2,3-dihydro-5-benzofuranyl)methyl]-
CAS Number:
918107-67-2
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
IUPAC Name:
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,2-thiazol-3-one
InChI:
InChI=1S/C12H11NO2S/c14-12-4-6-16-13(12)8-9-1-2-11-10(7-9)3-5-15-11/h1-2,4,6-7H,3,5,8H2
InChI Key:
NDRNHXZHRLRJEK-UHFFFAOYSA-N
SMILES:
O=c1ccsn1Cc1ccc2c(c1)CCO2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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