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1246088-60-7

1246088-60-7 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxaldehyde, 5-fluoro-

CAS No: 1246088-60-7 Catalog No: AG000MGA MDL No:MFCD17171327

Product Description

Catalog Number:
AG000MGA
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxaldehyde, 5-fluoro-
CAS Number:
1246088-60-7
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
MDL Number:
MFCD17171327
IUPAC Name:
5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde
InChI:
InChI=1S/C8H5FN2O/c9-6-3-5-1-2-10-8(5)11-7(6)4-12/h1-4H,(H,10,11)
InChI Key:
DNYPXIDCAJUCTO-UHFFFAOYSA-N
SMILES:
O=Cc1nc2[nH]ccc2cc1F

Properties

Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.139g/mol
Monoisotopic Mass:
164.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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