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1190310-40-7 | 1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 3-bromo-
CAS No: 1190310-40-7 Catalog No: AG000HG4 MDL No:
Product Description
Catalog Number:
AG000HG4
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-4-carboxylic acid, 3-bromo-
CAS Number:
1190310-40-7
Molecular Formula:
C8H5BrN2O2
Molecular Weight:
241.0415
IUPAC Name:
3-bromo-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
InChI:
InChI=1S/C8H5BrN2O2/c9-5-2-11-6-3-10-1-4(7(5)6)8(12)13/h1-3,11H,(H,12,13)
InChI Key:
BHEIMKFVQZKEIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc2c1c(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:
1.2
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