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116758-77-1 | 5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(2-phenylethenyl)-
CAS No: 116758-77-1 Catalog No: AG000D6F MDL No:
Product Description
Catalog Number:
AG000D6F
Chemical Name:
5-Thiazoleacetic acid, 4-(4-chlorophenyl)-2-(2-phenylethenyl)-
CAS Number:
116758-77-1
Molecular Formula:
C19H14ClNO2S
Molecular Weight:
355.8380
IUPAC Name:
2-[4-(4-chlorophenyl)-2-(2-phenylethenyl)-1,3-thiazol-5-yl]acetic acid
InChI:
InChI=1S/C19H14ClNO2S/c20-15-9-7-14(8-10-15)19-16(12-18(22)23)24-17(21-19)11-6-13-4-2-1-3-5-13/h1-11H,12H2,(H,22,23)
InChI Key:
GCDKBSYSOQNOLC-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1sc(nc1c1ccc(cc1)Cl)C=Cc1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.043g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.836g/mol
Monoisotopic Mass:
355.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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