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Home > Bromides > 1167056-46-3
1167056-46-3 | 1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 5-bromo-
CAS No: 1167056-46-3 Catalog No: AG000D2W MDL No:MFCD12405204
Product Description
Catalog Number:
AG000D2W
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-3-carboxylic acid, 5-bromo-
CAS Number:
1167056-46-3
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD12405204
IUPAC Name:
5-bromo-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-6-2-1-5-7(11-6)4(3-10-5)8(12)13/h1-3,10H,(H,12,13)
InChI Key:
PCALKTCNNPFHHR-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(n1)c(c[nH]2)C(=O)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.044g/mol
Monoisotopic Mass:
239.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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