5-Cyano-2-fluorobenzaldehyde

C8H4FNOCAS 146137-79-3149.12 g/mol

Open in Covalent MOL file
NOF
AldehydeAryl halideNitrile

Properties

Molecular formula
C8H4FNO
Molar mass
149.12 g/mol
Exact mass
149.0277 Da
logP
1.51Crippen estimate
Polar surface area
40.9 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
146137-79-3
SMILES
C1=CC(=C(C=C1C#N)C=O)F
InChIKey
QVBHRCAJZGMNFX-UHFFFAOYSA-N
InChI
InChI=1S/C8H4FNO/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,5H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Cyano-2-fluorobenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Difluorobenzonitrile64248-62-058 % similar 2,5-Difluorobenzaldehyde2646-90-455 % similar 3-Chloro-4-fluorobenzonitrile117482-84-551 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-051 % similar 4-Fluoro-3-methylbenzonitrile185147-08-451 % similar 3-Bromo-4-fluorobenzonitrile79630-23-251 % similar 3-Amino-4-fluorobenzonitrile859855-53-151 % similar 2-Fluoro-5-methylbenzaldehyde93249-44-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-formylbenzonitrile1003708-42-6 2-Fluoro-4-formylbenzonitrile101048-76-4 3-Fluoro-4-formylbenzonitrile105942-10-7 2-Fluoro-5-formylbenzonitrile218301-22-5

Elsewhere

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