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1246088-38-9 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 4-chloro-5-fluoro-
CAS No: 1246088-38-9 Catalog No: AG000MGF MDL No:MFCD17171310
Product Description
Catalog Number:
AG000MGF
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxylic acid, 4-chloro-5-fluoro-
CAS Number:
1246088-38-9
Molecular Formula:
C8H4ClFN2O2
Molecular Weight:
214.5810
MDL Number:
MFCD17171310
IUPAC Name:
4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
InChI:
InChI=1S/C8H4ClFN2O2/c9-4-3-1-2-11-7(3)12-6(5(4)10)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChI Key:
YVKQWOUKLUGWFX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc2[nH]ccc2c(c1F)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.58g/mol
Monoisotopic Mass:
213.995g/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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