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89296-07-1 | Phenol, 2-(3-methyl-4-phenyl-5-isothiazolyl)-
CAS No: 89296-07-1 Catalog No: AG0040WP MDL No:
Product Description
Catalog Number:
AG0040WP
Chemical Name:
Phenol, 2-(3-methyl-4-phenyl-5-isothiazolyl)-
CAS Number:
89296-07-1
Molecular Formula:
C16H13NOS
Molecular Weight:
267.3455
IUPAC Name:
2-(3-methyl-4-phenyl-1,2-thiazol-5-yl)phenol
InChI:
InChI=1S/C16H13NOS/c1-11-15(12-7-3-2-4-8-12)16(19-17-11)13-9-5-6-10-14(13)18/h2-10,18H,1H3
InChI Key:
WVCDEJSOWQPZAN-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1c1ccccc1)c1ccccc1O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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