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Home > Aldehydes > 1190314-86-3
1190314-86-3 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-fluoro-
CAS No: 1190314-86-3 Catalog No: AG000HN6 MDL No:
Product Description
Catalog Number:
AG000HN6
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-fluoro-
CAS Number:
1190314-86-3
Molecular Formula:
C8H5FN2O
Molecular Weight:
164.1365
IUPAC Name:
4-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C8H5FN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)
InChI Key:
SBHZLMHAKXVWFM-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1c(F)ccn2
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:
0.9
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