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122589-83-7 | 4-Benzothiazolol, 2-(4-methylphenyl)-
CAS No: 122589-83-7 Catalog No: AG0017H9 MDL No:
Product Description
Catalog Number:
AG0017H9
Chemical Name:
4-Benzothiazolol, 2-(4-methylphenyl)-
CAS Number:
122589-83-7
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
2-(4-methylphenyl)-1,3-benzothiazol-4-ol
InChI:
InChI=1S/C14H11NOS/c1-9-5-7-10(8-6-9)14-15-13-11(16)3-2-4-12(13)17-14/h2-8,16H,1H3
InChI Key:
XYVBFHRLFOBGMT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1sc2c(n1)c(O)ccc2
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.056g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.308g/mol
Monoisotopic Mass:
241.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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