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89296-06-0

89296-06-0 | Phenol, 2-(4-phenyl-5-isothiazolyl)-

CAS No: 89296-06-0 Catalog No: AG0040D6 MDL No:

Product Description

Catalog Number:
AG0040D6
Chemical Name:
Phenol, 2-(4-phenyl-5-isothiazolyl)-
CAS Number:
89296-06-0
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
IUPAC Name:
2-(4-phenyl-1,2-thiazol-5-yl)phenol
InChI:
InChI=1S/C15H11NOS/c17-14-9-5-4-8-12(14)15-13(10-16-18-15)11-6-2-1-3-7-11/h1-10,17H
InChI Key:
BEWXCMYQWWNTAO-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1sncc1c1ccccc1

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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