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262856-01-9 | 5-Thiazolecarboxylic acid, 2-(2,4-dichlorophenyl)-4-hydroxy-, ethyl ester
CAS No: 262856-01-9 Catalog No: AG002SL6 MDL No:MFCD00816792
Product Description
Catalog Number:
AG002SL6
Chemical Name:
5-Thiazolecarboxylic acid, 2-(2,4-dichlorophenyl)-4-hydroxy-, ethyl ester
CAS Number:
262856-01-9
Molecular Formula:
C12H9Cl2NO3S
Molecular Weight:
318.1758
MDL Number:
MFCD00816792
IUPAC Name:
ethyl 2-(2,4-dichlorophenyl)-4-hydroxy-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C12H9Cl2NO3S/c1-2-18-12(17)9-10(16)15-11(19-9)7-4-3-6(13)5-8(7)14/h3-5,16H,2H2,1H3
InChI Key:
REQSKIDVCSYJER-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1O)c1ccc(cc1Cl)Cl
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.968g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.168g/mol
Monoisotopic Mass:
316.968g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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