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Home > Bromides > 1250443-94-7
1250443-94-7 | Thieno[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester
CAS No: 1250443-94-7 Catalog No: AG000N0S MDL No:MFCD16987565
Product Description
Catalog Number:
AG000N0S
Chemical Name:
Thieno[2,3-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
1250443-94-7
Molecular Formula:
C9H6BrNO2S
Molecular Weight:
272.1184
MDL Number:
MFCD16987565
IUPAC Name:
methyl 5-bromothieno[2,3-b]pyridine-2-carboxylate
InChI:
InChI=1S/C9H6BrNO2S/c1-13-9(12)7-3-5-2-6(10)4-11-8(5)14-7/h2-4H,1H3
InChI Key:
BEXOEHXVYAAILU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2c(s1)ncc(c2)Br
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:
3.1
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