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218301-22-5 | 4-Fluoro-3-cyanobenzaldehyde
CAS No: 218301-22-5 Catalog No: AG003HA3 MDL No:MFCD01863558
Product Description
Catalog Number:
AG003HA3
Chemical Name:
4-Fluoro-3-cyanobenzaldehyde
CAS Number:
218301-22-5
Molecular Formula:
C8H4FNO
Molecular Weight:
149.1219
MDL Number:
MFCD01863558
IUPAC Name:
2-fluoro-5-formylbenzonitrile
InChI:
InChI=1S/C8H4FNO/c9-8-2-1-6(5-11)3-7(8)4-10/h1-3,5H
InChI Key:
MOFRJTLODZILCR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)C#N)F
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.028g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.124g/mol
Monoisotopic Mass:
149.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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