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141109-19-5 | Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, hydrochloride (1:1), (αS)-
CAS No: 141109-19-5 Catalog No: AG001FX7 MDL No:MFCD08458449
Product Description
Catalog Number:
AG001FX7
Chemical Name:
Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, hydrochloride (1:1), (αS)-
CAS Number:
141109-19-5
Molecular Formula:
C15H17Cl2NO2S
Molecular Weight:
346.2720
MDL Number:
MFCD08458449
IUPAC Name:
methyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
InChI:
InChI=1S/C15H16ClNO2S.ClH/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;1H/t14-;/m0./s1
InChI Key:
ZXANKCFSGFEBQW-UQKRIMTDSA-N
SMILES:
COC(=O)[C@H](c1ccccc1Cl)NCCc1cccs1.Cl
EC Number:
604-219-8
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
345.036g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.266g/mol
Monoisotopic Mass:
345.036g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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