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1242336-81-7 | Thieno[2,3-b]pyridine-2-carboxylic acid, 5-bromo-
CAS No: 1242336-81-7 Catalog No: AG000LQ1 MDL No:MFCD17016095
Product Description
Catalog Number:
AG000LQ1
Chemical Name:
Thieno[2,3-b]pyridine-2-carboxylic acid, 5-bromo-
CAS Number:
1242336-81-7
Molecular Formula:
C8H4BrNO2S
Molecular Weight:
258.0919
MDL Number:
MFCD17016095
IUPAC Name:
5-bromothieno[2,3-b]pyridine-2-carboxylic acid
InChI:
InChI=1S/C8H4BrNO2S/c9-5-1-4-2-6(8(11)12)13-7(4)10-3-5/h1-3H,(H,11,12)
InChI Key:
PNXKVMHKFZDENP-UHFFFAOYSA-N
SMILES:
Brc1cnc2c(c1)cc(s2)C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.915g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.089g/mol
Monoisotopic Mass:
256.915g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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