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100827-77-8 | 2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester
CAS No: 100827-77-8 Catalog No: AG0002ZD MDL No:
Product Description
Catalog Number:
AG0002ZD
Chemical Name:
2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester
CAS Number:
100827-77-8
Molecular Formula:
C15H14ClNO3S
Molecular Weight:
323.7946
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
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
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