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89405-42-5 | Phenol, 4-[[[4,5-bis(2-chlorophenyl)-2-thiazolyl]imino]methyl]-2-methoxy-
CAS No: 89405-42-5 Catalog No: AG003VT2 MDL No:
Product Description
Catalog Number:
AG003VT2
Chemical Name:
Phenol, 4-[[[4,5-bis(2-chlorophenyl)-2-thiazolyl]imino]methyl]-2-methoxy-
CAS Number:
89405-42-5
Molecular Formula:
C23H16Cl2N2O2S
Molecular Weight:
455.3563
IUPAC Name:
4-[[4,5-bis(2-chlorophenyl)-1,3-thiazol-2-yl]iminomethyl]-2-methoxyphenol
InChI:
InChI=1S/C23H16Cl2N2O2S/c1-29-20-12-14(10-11-19(20)28)13-26-23-27-21(15-6-2-4-8-17(15)24)22(30-23)16-7-3-5-9-18(16)25/h2-13,28H,1H3
InChI Key:
XNDPNTNKBXPBNC-UHFFFAOYSA-N
SMILES:
COc1cc(C=Nc2nc(c(s2)c2ccccc2Cl)c2ccccc2Cl)ccc1O
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.031g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
455.353g/mol
Monoisotopic Mass:
454.031g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.8
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