Home Halogens Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester, hydrochloride (1:1)

Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester, hydrochloride (1:1)

CAS No.:
144750-52-7
Catalog Number:
AG001K3I
Molecular Formula:
C16H17Cl2NO2S
Molecular Weight:
358.2827
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Product Description
Catalog Number:
AG001K3I
Chemical Name:
Thieno[2,3-c]pyridine-6(5H)-acetic acid, α-(2-chlorophenyl)-4,7-dihydro-, methyl ester, hydrochloride (1:1)
CAS Number:
144750-52-7
Molecular Formula:
C16H17Cl2NO2S
Molecular Weight:
358.2827
MDL Number:
MFCD22375692
IUPAC Name:
methyl 2-(2-chlorophenyl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)acetate;hydrochloride
InChI:
InChI=1S/C16H16ClNO2S.ClH/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-11-7-9-21-14(11)10-18;/h2-5,7,9,15H,6,8,10H2,1H3;1H
InChI Key:
SYAKRIYLSOOCKW-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccc1Cl)N1CCc2c(C1)scc2.Cl
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.036g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
358.277g/mol
Monoisotopic Mass:
357.036g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties