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Home > Bromides > 1190322-26-9
1190322-26-9 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 5-bromo-
CAS No: 1190322-26-9 Catalog No: AG000I0Y MDL No:MFCD12962875
Product Description
Catalog Number:
AG000I0Y
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 5-bromo-
CAS Number:
1190322-26-9
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
MDL Number:
MFCD12962875
IUPAC Name:
5-bromo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-5-3-4-1-2-10-7(4)11-6(5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
XLDHSOLQOJNDAZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2[nH]ccc2cc1Br
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:
1.9
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