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144750-42-5 | Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, hydrochloride (1:1), (αS)-
CAS No: 144750-42-5 Catalog No: AG001K3J MDL No:MFCD08063656
Product Description
Catalog Number:
AG001K3J
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, hydrochloride (1:1), (αS)-
CAS Number:
144750-42-5
Molecular Formula:
C15H15Cl2NO2S
Molecular Weight:
344.2561
MDL Number:
MFCD08063656
IUPAC Name:
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C15H14ClNO2S.ClH/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13;/h1-4,6,8,14H,5,7,9H2,(H,18,19);1H/t14-;/m0./s1
InChI Key:
FOKSIOUPGDBSLC-UQKRIMTDSA-N
SMILES:
OC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2.Cl
EC Number:
604-442-0
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.02g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
344.25g/mol
Monoisotopic Mass:
343.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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