6-Chloro-2-fluoro-3-methylbenzaldehyde

C8H6ClFOCAS 286474-59-7172.58 g/mol

Open in Covalent MOL file
ClOF
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 2 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
286474-59-7
SMILES
CC1=C(C(=C(C=C1)Cl)C=O)F
InChIKey
GGZOMBUJFMOEEZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6ClFO/c1-5-2-3-7(9)6(4-11)8(5)10/h2-4H,1H3

Weigh it out

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Work with 6-Chloro-2-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

6-Chloro-2,3-difluorobenzaldehyde797791-33-464 % similar 2-Chloro-6-methylbenzaldehyde1194-64-558 % similar 3-Chloro-2,6-difluorobenzaldehyde190011-87-154 % similar 2,3-Difluoro-4-methylbenzaldehyde245536-50-953 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-349 % similar 6-Chloro-2-fluoro-3-methylbenzoyl chloride261762-82-749 % similar 2-Chloro-6-fluorobenzaldehyde387-45-149 % similar 2,3,6-Trichlorobenzaldehyde4659-47-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-fluoro-3-methylbenzaldehyde104451-99-2 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 3'-Chloro-4'-fluoroacetophenone2923-66-2 2'-Chloro-5'-fluoroacetophenone2965-16-4 2-Fluorobenzeneacetyl chloride451-81-0

Elsewhere

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