Name: Name:2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester
Brand: Angene
SKU: AG0002ZD
Rating: 90 (10 reviews)

2-Thiophenepropanoic acid, 5-amino-4-(2-chlorobenzoyl)-, methyl ester

CAS No.:

100827-77-8

Catalog Number:

AG0002ZD

Molecular Formula:

C15H14ClNO3S

Molecular Weight:

323.7946

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

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

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

323.038g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

323.791g/mol

Monoisotopic Mass:

323.038g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

97.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9