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886851-29-2 | Benzoic acid,3-(2-thiazolyl)-, ethyl ester
CAS No: 886851-29-2 Catalog No: AG00478W MDL No:MFCD09064945
Product Description
Catalog Number:
AG00478W
Chemical Name:
Benzoic acid,3-(2-thiazolyl)-, ethyl ester
CAS Number:
886851-29-2
Molecular Formula:
C12H11NO2S
Molecular Weight:
233.2862
MDL Number:
MFCD09064945
IUPAC Name:
ethyl 3-(1,3-thiazol-2-yl)benzoate
InChI:
InChI=1S/C12H11NO2S/c1-2-15-12(14)10-5-3-4-9(8-10)11-13-6-7-16-11/h3-8H,2H2,1H3
InChI Key:
LHYDRQQHIJUWDE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)c1nccs1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.285g/mol
Monoisotopic Mass:
233.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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