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88841-64-9 | 1,2-Benzisothiazole, 2,3-dihydro-2-(4-methoxyphenyl)-
CAS No: 88841-64-9 Catalog No: AG004BPN MDL No:
Product Description
Catalog Number:
AG004BPN
Chemical Name:
1,2-Benzisothiazole, 2,3-dihydro-2-(4-methoxyphenyl)-
CAS Number:
88841-64-9
Molecular Formula:
C14H13NOS
Molecular Weight:
243.3241
IUPAC Name:
2-(4-methoxyphenyl)-3H-1,2-benzothiazole
InChI:
InChI=1S/C14H13NOS/c1-16-13-8-6-12(7-9-13)15-10-11-4-2-3-5-14(11)17-15/h2-9H,10H2,1H3
InChI Key:
CRDWPKBZLBCSGU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N1Cc2c(S1)cccc2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.324g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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