Home Amines 100827-77-8
100827-77-8,MFCD16251186
Catalog No.:AA0002WL
100827-77-8 | 2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester
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10mg
1 week  
$1,625.00   $1,138.00
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100mg
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$3,572.00   $2,500.00
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Technical Information
Catalog Number:
AA0002WL
Chemical Name:
2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester
CAS Number:
100827-77-8
Molecular Formula:
C15H14ClNO3S
Molecular Weight:
323.7946
MDL Number:
MFCD16251186
IUPAC Name:
methyl 3-[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]propanoate
InChI:
InChI=1S/C15H14ClNO3S/c1-20-13(18)7-6-9-8-11(15(17)21-9)14(19)10-4-2-3-5-12(10)16/h2-5,8H,6-7,17H2,1H3
InChI Key:
LZTUUSFBUKOHGQ-UHFFFAOYSA-N
SMILES:
COC(=O)CCc1sc(c(c1)C(=O)c1ccccc1Cl)N
Properties
Computed Properties
 
Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.038g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.791g/mol
Monoisotopic Mass:
323.038g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

Synonyms
 
100827-77-8 
2-Amino-3-(2-chlorobenzoyl)-5-(2-carbomethoxyethyl)thiophene 
Methyl 3-[5-amino-4-(2-chlorobenzoyl)thiophen-2-yl]propanoate 
LZTUUSFBUKOHGQ-UHFFFAOYSA-N 
5-Amino-4-(2-chlorobenzoyl)-2-thiophenepropanoic Acid Methyl Ester 
SCHEMBL9043186 
CTK3J9280 
DTXSID10546343 
ZINC34120999 
AKOS027446396 
RT-007311 
FT-0661671 
Literature
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