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Home > Aldehydes > 1246088-61-8
1246088-61-8 | 1H-Pyrrolo[2,3-b]pyridine-6-carboxaldehyde, 4-chloro-5-fluoro-
CAS No: 1246088-61-8 Catalog No: AG000MG9 MDL No:MFCD17171309
Product Description
Catalog Number:
AG000MG9
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-6-carboxaldehyde, 4-chloro-5-fluoro-
CAS Number:
1246088-61-8
Molecular Formula:
C8H4ClFN2O
Molecular Weight:
198.5816
MDL Number:
MFCD17171309
IUPAC Name:
4-chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine-6-carbaldehyde
InChI:
InChI=1S/C8H4ClFN2O/c9-6-4-1-2-11-8(4)12-5(3-13)7(6)10/h1-3H,(H,11,12)
InChI Key:
QISMYSWHALACQU-UHFFFAOYSA-N
SMILES:
O=Cc1nc2[nH]ccc2c(c1F)Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.581g/mol
Monoisotopic Mass:
198g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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