Ethyl 2-amino-6-fluoro-3-nitrobenzoate

C₉H₉FN₂O₄CAS 150368-37-9228.18 g/mol

Open in Covalent MOL file

Aryl halide Ester Nitro Primary amine

Properties

Molecular formula: C₉H₉FN₂O₄
Molar mass: 228.18 g/mol
Exact mass: 228.0546 Da
logP: 1.49Crippen estimate
Polar surface area: 95.5 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

150368-37-9

SMILES

CCOC(=O)c1c(F)ccc([N+](=O)[O-])c1N

InChIKey

PJSMHOIXOKZIMX-UHFFFAOYSA-N

InChI

InChI=1S/C9H9FN2O4/c1-2-16-9(13)7-5(10)3-4-6(8(7)11)12(14)15/h3-4H,2,11H2,1H3

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Names and synonyms

2 names

Benzoic acid, 2-amino-6-fluoro-3-nitro-, ethyl ester
2-Amino-6-fluoro-3-nitrobenzoic acid ethyl ester

Work with Ethyl 2-amino-6-fluoro-3-nitrobenzoate

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

Ethyl 4-fluoro-3-nitrobenzoate367-80-662 % similar 3-Fluoro-2-methyl-6-nitroaniline485832-96-052 % similar Ethyl o-nitrobenzoate610-34-452 % similar Methyl 2,6-difluoro-3-nitrobenzoate84832-01-952 % similar 2,3-Difluoro-6-nitroaniline211693-73-151 % similar Ethyl 4-chloro-3-nitrobenzoate16588-16-248 % similar Ethyl 4-nitrobenzoate99-77-448 % similar 4-Ethoxycarbonyl-2-nitrophenylboronic acid5785-70-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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