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89405-36-7 | Phenol, 4-[[[4-(4-chlorophenyl)-2-thiazolyl]imino]methyl]-2-methoxy-
CAS No: 89405-36-7 Catalog No: AG004NDP MDL No:
Product Description
Catalog Number:
AG004NDP
Chemical Name:
Phenol, 4-[[[4-(4-chlorophenyl)-2-thiazolyl]imino]methyl]-2-methoxy-
CAS Number:
89405-36-7
Molecular Formula:
C17H13ClN2O2S
Molecular Weight:
344.8153
IUPAC Name:
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-2-methoxyphenol
InChI:
InChI=1S/C17H13ClN2O2S/c1-22-16-8-11(2-7-15(16)21)9-19-17-20-14(10-23-17)12-3-5-13(18)6-4-12/h2-10,21H,1H3
InChI Key:
OMEZOBCCXVQKPH-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2scc(n2)c2ccc(cc2)Cl)ccc1O
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.039g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.813g/mol
Monoisotopic Mass:
344.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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