2-Chloro-6-fluoro-3-methylbenzaldehyde

C8H6ClFOCAS 104451-99-2172.58 g/mol

Open in Covalent MOL file
FOCl
AldehydeAryl halide

Properties

Molecular formula
C8H6ClFO
Molar mass
172.58 g/mol
Exact mass
172.0091 Da
logP
2.60Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 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+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
104451-99-2
SMILES
CC1=C(C(=C(C=C1)F)C=O)Cl
InChIKey
CSYKEPRGLYWJCW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5-2-3-7(10)6(4-11)8(5)9/h2-4H,1H3

Weigh it out

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

Work with 2-Chloro-6-fluoro-3-methylbenzaldehyde

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

2-Chloro-3,6-difluorobenzaldehyde261762-39-470 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-266 % similar 2-Bromo-6-fluoro-3-methylbenzaldehyde154650-16-560 % similar 2,6-Difluorobenzaldehyde437-81-057 % similar 2-Chloro-6-fluorobenzaldehyde387-45-153 % similar 2,6-Dimethylbenzaldehyde1123-56-452 % similar 3-Chloro-2,6-difluorobenzaldehyde190011-87-150 % similar 1-(2-Chloro-6-fluoro-3-methylphenyl)ethanone261762-63-449 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4'-Chloro-3'-fluoroacetophenone151945-84-5 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-1 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-8 5-Fluoro-2-methylbenzoyl chloride21900-39-0 6-Chloro-2-fluoro-3-methylbenzaldehyde286474-59-7 3'-Chloro-4'-fluoroacetophenone2923-66-2 2'-Chloro-5'-fluoroacetophenone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

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