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2338-71-8 | 1H-Indole-3-carboxaldehyde, 5-fluoro-
CAS No: 2338-71-8 Catalog No: AG002N20 MDL No:MFCD00022719
Product Description
Catalog Number:
AG002N20
Chemical Name:
1H-Indole-3-carboxaldehyde, 5-fluoro-
CAS Number:
2338-71-8
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD00022719
IUPAC Name:
5-fluoro-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6FNO/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-5,11H
InChI Key:
YUAJKGBLPVLADK-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]c2c1cc(F)cc2
NSC Number:
88615
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.151g/mol
Monoisotopic Mass:
163.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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