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15854-09-8 | 3-Thiophenecarboxylic acid, 2-amino-4-(2,5-dimethylphenyl)-, ethyl ester
CAS No: 15854-09-8 Catalog No: AG001Q9T MDL No:MFCD01922056
Product Description
Catalog Number:
AG001Q9T
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-(2,5-dimethylphenyl)-, ethyl ester
CAS Number:
15854-09-8
Molecular Formula:
C15H17NO2S
Molecular Weight:
275.3660
MDL Number:
MFCD01922056
IUPAC Name:
ethyl 2-amino-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C15H17NO2S/c1-4-18-15(17)13-12(8-19-14(13)16)11-7-9(2)5-6-10(11)3/h5-8H,4,16H2,1-3H3
InChI Key:
ZPSZGZTWODVJET-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1c1cc(C)ccc1C
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.366g/mol
Monoisotopic Mass:
275.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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