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145325-40-2 | Thieno[2,3-c]pyridine-2-carboxylic acid, 4-bromo-, methyl ester
CAS No: 145325-40-2 Catalog No: AG001KSY MDL No:MFCD08275124
Product Description
Catalog Number:
AG001KSY
Chemical Name:
Thieno[2,3-c]pyridine-2-carboxylic acid, 4-bromo-, methyl ester
CAS Number:
145325-40-2
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
MDL Number:
MFCD08275124
IUPAC Name:
methyl 4-bromothieno[2,3-c]pyridine-2-carboxylate
InChI:
InChI=1S/C9H6BrNO2S/c1-13-9(12)7-2-5-6(10)3-11-4-8(5)14-7/h2-4H,1H3
InChI Key:
REZMNBYKKVGMCD-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc2c(c1)c(Br)cnc2
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.93g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.116g/mol
Monoisotopic Mass:
270.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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