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144457-28-3 | Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-
CAS No: 144457-28-3 Catalog No: AG001JKA MDL No:
Product Description
Catalog Number:
AG001JKA
Chemical Name:
Thieno[3,2-c]pyridine-5(4H)-acetic acid, α-(2-chlorophenyl)-6,7-dihydro-, (αS)-
CAS Number:
144457-28-3
Molecular Formula:
C15H14ClNO2S
Molecular Weight:
307.7952
IUPAC Name:
(2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
InChI:
InChI=1S/C15H14ClNO2S/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)/t14-/m0/s1
InChI Key:
DCASRSISIKYPDD-AWEZNQCLSA-N
SMILES:
OC(=O)[C@H](c1ccccc1Cl)N1CCc2c(C1)ccs2
UNII:
1B9Z4634CD
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
307.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.792g/mol
Monoisotopic Mass:
307.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
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