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89242-49-9 | Thieno[3,2-c]pyridine-6-carboxylic acid, 4-(2-chlorophenyl)-
CAS No: 89242-49-9 Catalog No: AG0042NT MDL No:
Product Description
Catalog Number:
AG0042NT
Chemical Name:
Thieno[3,2-c]pyridine-6-carboxylic acid, 4-(2-chlorophenyl)-
CAS Number:
89242-49-9
Molecular Formula:
C14H8ClNO2S
Molecular Weight:
289.7368
IUPAC Name:
4-(2-chlorophenyl)thieno[3,2-c]pyridine-6-carboxylic acid
InChI:
InChI=1S/C14H8ClNO2S/c15-10-4-2-1-3-8(10)13-9-5-6-19-12(9)7-11(16-13)14(17)18/h1-7H,(H,17,18)
InChI Key:
VZJRLYAGHVUPGN-UHFFFAOYSA-N
SMILES:
Clc1ccccc1c1nc(cc2c1ccs2)C(=O)O
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.733g/mol
Monoisotopic Mass:
288.996g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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