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26530-09-6 | 3(2H)-Isothiazolone, 2-[(4-chlorophenyl)methyl]-
CAS No: 26530-09-6 Catalog No: AG002TL3 MDL No:
Product Description
Catalog Number:
AG002TL3
Chemical Name:
3(2H)-Isothiazolone, 2-[(4-chlorophenyl)methyl]-
CAS Number:
26530-09-6
Molecular Formula:
C10H8ClNOS
Molecular Weight:
225.6946
IUPAC Name:
2-[(4-chlorophenyl)methyl]-1,2-thiazol-3-one
InChI:
InChI=1S/C10H8ClNOS/c11-9-3-1-8(2-4-9)7-12-10(13)5-6-14-12/h1-6H,7H2
InChI Key:
PQIJDRCKMJCOFO-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1sccc1=O
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.002g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.69g/mol
Monoisotopic Mass:
225.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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