2-Amino-5-chloro-2′-fluorobenzophenone

C₁₃H₉ClFNOCAS 784-38-3249.67 g/mol

Open in Covalent MOL file

Aryl halide Ketone Primary amine

Properties

Molecular formula: C₁₃H₉ClFNO
Molar mass: 249.67 g/mol
Exact mass: 249.0357 Da
Melting point: 94–95 °C
logP: 3.29Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation92.2% of notifiers
H319 Causes serious eye irritation92.2% of notifiers
H335 May cause respiratory irritation90.2% of notifiers

Aggregated from 51 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

784-38-3

SMILES

Nc1ccc(Cl)cc1C(=O)c1ccccc1F

InChIKey

GTGMXPIQRQSORU-UHFFFAOYSA-N

InChI

InChI=1S/C13H9ClFNO/c14-8-5-6-12(16)10(7-8)13(17)9-3-1-2-4-11(9)15/h1-7H,16H2

Weigh it out

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

Names and synonyms

4 names

Methanone, (2-amino-5-chlorophenyl)(2-fluorophenyl)-
Benzophenone, 2-amino-5-chloro-2′-fluoro-
(2-Amino-5-chlorophenyl)(2-fluorophenyl)methanone
2-Amino-5-chloro-2'-fluorobenzophenone

Work with 2-Amino-5-chloro-2′-fluorobenzophenone

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-Amino-5-chloro-2',6'-difluorobenzophenone28910-83-079 % similar 2-Amino-2',5-dichlorobenzophenone2958-36-374 % similar 2-Amino-5-chlorobenzophenone719-59-567 % similar (2-Amino-5-bromophenyl)(2-fluorophenyl)methanone1479-58-966 % similar 2-Amino-2',5'-dichlorobenzophenone21723-84-263 % similar 2-Amino-2'-fluoro-5-nitrobenzophenone344-80-959 % similar 2-Chloroanthraquinone131-09-957 % similar 2-Amino-4′-chlorobenzophenone2894-51-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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