1-(2-Fluoro-3-hydroxy-6-nitrophenyl)-2-propanone

C₉H₈FNO₄CAS 649736-31-2213.16 g/mol

Open in Covalent MOL file

Aryl halide Ketone Nitro Phenol

Properties

Molecular formula: C₉H₈FNO₄
Molar mass: 213.16 g/mol
Exact mass: 213.0437 Da
logP: 1.57Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% 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

649736-31-2

SMILES

CC(=O)Cc1c([N+](=O)[O-])ccc(O)c1F

InChIKey

IPRZVDNMKMONNN-UHFFFAOYSA-N

InChI

InChI=1S/C9H8FNO4/c1-5(12)4-6-7(11(14)15)2-3-8(13)9(6)10/h2-3,13H,4H2,1H3

Weigh it out

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

Names and synonyms

2 names

2-Propanone, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)-
1-(2-Fluoro-3-hydroxy-6-nitrophenyl)propan-2-one

Work with 1-(2-Fluoro-3-hydroxy-6-nitrophenyl)-2-propanone

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-Fluoro-3-nitrophenol179816-26-349 % similar 1,5-Dihydroxy-4,8-dinitro-9,10-anthracenedione128-91-645 % similar 1-(4-Nitrophenyl)propan-2-one5332-96-745 % similar 1,8-Dihydroxy-4,5-dinitro-9,10-anthracenedione81-55-045 % similar 4-Hydroxy-3-nitroacetophenone6322-56-144 % similar 2,3-Dimethyl-4-nitrophenol19499-93-543 % similar 4-Fluoro-2-nitrophenol394-33-243 % similar 5-Fluoro-2-nitrophenol446-36-643 % similar

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

Same formula

Ethyl 4-fluoro-3-nitrobenzoate367-80-6 Methyl 5-fluoro-2-methyl-3-nitrobenzoate697739-03-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook