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126533-79-7 | 4-Thiazolecarboxylic acid, 2-[(4-methoxyphenyl)amino]-, ethyl ester
CAS No: 126533-79-7 Catalog No: AG000SW2 MDL No:MFCD07369005
Product Description
Catalog Number:
AG000SW2
Chemical Name:
4-Thiazolecarboxylic acid, 2-[(4-methoxyphenyl)amino]-, ethyl ester
CAS Number:
126533-79-7
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
MDL Number:
MFCD07369005
IUPAC Name:
ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C13H14N2O3S/c1-3-18-12(16)11-8-19-13(15-11)14-9-4-6-10(17-2)7-5-9/h4-8H,3H2,1-2H3,(H,14,15)
InChI Key:
IPUZBCRNFHBQLY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)Nc1ccc(cc1)OC
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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