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1227267-00-6 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 5-bromo-2,3-dihydro-2-oxo-
CAS No: 1227267-00-6 Catalog No: AG000J21 MDL No:
Product Description
Catalog Number:
AG000J21
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 5-bromo-2,3-dihydro-2-oxo-
CAS Number:
1227267-00-6
Molecular Formula:
C8H5BrN2O3
Molecular Weight:
257.0409
IUPAC Name:
5-bromo-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O3/c9-4-1-3-2-5(12)10-7(3)11-6(4)8(13)14/h1H,2H2,(H,13,14)(H,10,11,12)
InChI Key:
UACMRBKETZWQBN-UHFFFAOYSA-N
SMILES:
O=C1Cc2c(N1)nc(c(c2)Br)C(=O)O
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.043g/mol
Monoisotopic Mass:
255.948g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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