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21703-55-9 | Phenol, 2-(2-benzothiazolyl)-4-methyl-
CAS No: 21703-55-9 Catalog No: AG007PFY MDL No:
Product Description
Catalog Number:
AG007PFY
Chemical Name:
Phenol, 2-(2-benzothiazolyl)-4-methyl-
CAS Number:
21703-55-9
Molecular Formula:
C14H11NOS
Molecular Weight:
241.3082
IUPAC Name:
2-(1,3-benzothiazol-2-yl)-4-methylphenol
InChI:
InChI=1S/C14H11NOS/c1-9-6-7-12(16)10(8-9)14-15-11-4-2-3-5-13(11)17-14/h2-8,16H,1H3
InChI Key:
SMWMPMNQFQRVTR-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)c1nc2c(s1)cccc2)O
Properties
Complexity:
273
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:
4.3
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