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889944-87-0 | 3-(2-Benzothiazolyl)benzyl alcohol
CAS No: 889944-87-0 Catalog No: AG01EYIT MDL No:
Product Description
Catalog Number:
AG01EYIT
Chemical Name:
3-(2-Benzothiazolyl)benzyl alcohol
CAS Number:
889944-87-0
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
[3-(1,3-benzothiazol-2-yl)phenyl]methanol
InChI:
InChI=1S/C14H11NOS/c16-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)17-14/h1-8,16H,9H2
InChI Key:
BFQMHOGCJRXLNF-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1)c1nc2c(s1)cccc2
Properties
Complexity:
261
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:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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