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Home > Bromides > 1190317-33-9
1190317-33-9 | 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-bromo-
CAS No: 1190317-33-9 Catalog No: AG000P4X MDL No:
Product Description
Catalog Number:
AG000P4X
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 3-bromo-
CAS Number:
1190317-33-9
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
IUPAC Name:
3-bromo-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-4-3-10-5-1-2-6(8(12)13)11-7(4)5/h1-3,10H,(H,12,13)
InChI Key:
VAEIFQRMRLBMMP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(n1)c(Br)c[nH]2
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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