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213315-40-3 | Phenol, 4-[4-(2-thiazolyl)phenoxy]-
CAS No: 213315-40-3 Catalog No: AG0072XR MDL No:
Product Description
Catalog Number:
AG0072XR
Chemical Name:
Phenol, 4-[4-(2-thiazolyl)phenoxy]-
CAS Number:
213315-40-3
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
4-[4-(1,3-thiazol-2-yl)phenoxy]phenol
InChI:
InChI=1S/C15H11NO2S/c17-12-3-7-14(8-4-12)18-13-5-1-11(2-6-13)15-16-9-10-19-15/h1-10,17H
InChI Key:
MDQVZLBJWGHFIF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)Oc1ccc(cc1)c1nccs1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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