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1000340-36-2 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-
CAS No: 1000340-36-2 Catalog No: AG0000DY MDL No:
Product Description
Catalog Number:
AG0000DY
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 4-bromo-
CAS Number:
1000340-36-2
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
IUPAC Name:
4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-5-1-2-10-7-6(5)4(3-11-7)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
CGEPFCDRFZLRGQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c[nH]c2c1c(Br)ccn2
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:
1.5
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