3-Chloro-2-fluorobenzamide

C7H5ClFNOCAS 104326-94-5173.57 g/mol

Open in Covalent MOL file
ClFONH2
AmideAryl halide

Properties

Molecular formula
C7H5ClFNO
Molar mass
173.57 g/mol
Exact mass
173.0044 Da
logP
1.58Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
104326-94-5
SMILES
C1=CC(=C(C(=C1)Cl)F)C(=O)N
InChIKey
KGTCFPJGIYHDRZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClFNO/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H2,10,11)

Weigh it out

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

Work with 3-Chloro-2-fluorobenzamide

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-Chloro-2-fluorobenzoyl chloride85345-76-261 % similar 3-Chloro-2-fluorobenzoic acid161957-55-759 % similar 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-159 % similar 2-Fluoro-3-(trifluoromethyl)benzamide207853-60-958 % similar 2,3,4-Trifluorobenzamide207919-09-353 % similar 1,3-Dichloro-2-fluorobenzene2268-05-550 % similar 3,4-Dichlorobenzamide2670-38-447 % similar 2-Chloro-6-methylbenzamide101080-58-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-fluorobenzaldehyde oxime443-33-4 2-Chloro-6-fluorobenzamide66073-54-9 3-Chloro-4-fluorobenzamide701-43-9 2-Chloro-4-fluorobenzamide88578-90-9

Elsewhere

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