2-Amino-2'-fluoro-5-nitrobenzophenone

C₁₃H₉FN₂O₃CAS 344-80-9260.22 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro Primary amine

Properties

Molecular formula: C₁₃H₉FN₂O₃
Molar mass: 260.22 g/mol
Exact mass: 260.0597 Da
Melting point: 161–163 °C
logP: 2.55Crippen estimate
Polar surface area: 86.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number

344-80-9

SMILES

Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1F

InChIKey

ZTEHQPVGEHUXHI-UHFFFAOYSA-N

InChI

InChI=1S/C13H9FN2O3/c14-11-4-2-1-3-9(11)13(17)10-7-8(16(18)19)5-6-12(10)15/h1-7H,15H2

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Names and synonyms

5 names

(2-Amino-5-nitrophenyl)(2-fluorophenyl)methanone
Methanone, (2-amino-5-nitrophenyl)(2-fluorophenyl)-
Benzophenone, 2-amino-2′-fluoro-5-nitro-
2-Amino-2′-fluoro-5-nitrobenzophenone
2-Amino-5-nitro-2′-fluorobenzophenone

Work with 2-Amino-2'-fluoro-5-nitrobenzophenone

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-nitro-2′-chlorobenzophenone2011-66-773 % similar 2-Amino-5-nitrobenzophenone1775-95-770 % similar (2-Fluorophenyl)[2-(methylamino)-5-nitrophenyl]methanone735-06-865 % similar 2-Fluoro-4-nitrobenzenamine369-35-760 % similar (2-Amino-5-bromophenyl)(2-fluorophenyl)methanone1479-58-959 % similar 2-Amino-5-chloro-2′-fluorobenzophenone784-38-359 % similar 2-Amino-5-nitrobenzoic acid616-79-557 % similar 2-Fluoro-5-nitrobenzenamine369-36-856 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-6-nitro-N-phenylbenzamide870281-83-7

Elsewhere

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