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89296-09-3 | Phenol, 5-methoxy-2-(4-phenyl-5-isothiazolyl)-
CAS No: 89296-09-3 Catalog No: AG0040D5 MDL No:
Product Description
Catalog Number:
AG0040D5
Chemical Name:
Phenol, 5-methoxy-2-(4-phenyl-5-isothiazolyl)-
CAS Number:
89296-09-3
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
5-methoxy-2-(4-phenyl-1,2-thiazol-5-yl)phenol
InChI:
InChI=1S/C16H13NO2S/c1-19-12-7-8-13(15(18)9-12)16-14(10-17-20-16)11-5-3-2-4-6-11/h2-10,18H,1H3
InChI Key:
VAXZVWUPLMDHEP-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)O)c1sncc1c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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