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141109-20-8 | Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-
CAS No: 141109-20-8 Catalog No: AG001FX6 MDL No:
Product Description
Catalog Number:
AG001FX6
Chemical Name:
Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-
CAS Number:
141109-20-8
Molecular Formula:
C15H16ClNO2S
Molecular Weight:
309.8110
IUPAC Name:
methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate
InChI:
InChI=1S/C15H16ClNO2S/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,14,17H,8-9H2,1H3/t14-/m0/s1
InChI Key:
PAOGEKGFTGONII-AWEZNQCLSA-N
SMILES:
COC(=O)[C@H](c1ccccc1Cl)NCCc1cccs1
EC Number:
604-220-3
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
309.059g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.808g/mol
Monoisotopic Mass:
309.059g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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