Thieno[3,2-c]pyridine-5(4H)-acetic acid,a-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (aS)-


Chemical Name: Thieno[3,2-c]pyridine-5(4H)-acetic acid,a-(2-chlorophenyl)-6,7-dihydro-, methyl ester, (aS)-
CAS Number: 113665-84-2
Product Number: AG00099Q(AGN-PC-0P56S4)
Synonyms:
MDL No: MFCD05662337
Molecular Formula: C16H16ClNO2S
Molecular Weight: 321.8217

Identification/Properties


Computed Properties
Molecular Weight:
321.819g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
321.059g/mol
Monoisotopic Mass:
321.059g/mol
Topological Polar Surface Area:
57.8A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
381
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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