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Home > Bromides > 1257852-22-4
1257852-22-4 | 3H-Imidazo[4,5-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester
CAS No: 1257852-22-4 Catalog No: AG000OQF MDL No:MFCD17215619
Product Description
Catalog Number:
AG000OQF
Chemical Name:
3H-Imidazo[4,5-b]pyridine-2-carboxylic acid, 5-bromo-, methyl ester
CAS Number:
1257852-22-4
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD17215619
IUPAC Name:
methyl 5-bromo-1H-imidazo[4,5-b]pyridine-2-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)7-10-4-2-3-5(9)11-6(4)12-7/h2-3H,1H3,(H,10,11,12)
InChI Key:
QZFRYYLVBAYEHH-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c([nH]1)nc(cc2)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:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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