3-(Difluoromethoxy)nitrobenzene

C₇H₅F₂NO₃CAS 22236-07-3189.12 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitro

Properties

Molecular formula: C₇H₅F₂NO₃
Molar mass: 189.12 g/mol
Exact mass: 189.0237 Da
logP: 2.20Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed11.4% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation88.6% of notifiers

Aggregated from 44 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

22236-07-3

SMILES

C1=CC(=CC(=C1)OC(F)F)[N+](=O)[O-]

InChIKey

NYVCZALWNPMMSQ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F2NO3/c8-7(9)13-6-3-1-2-5(4-6)10(11)12/h1-4,7H

Weigh it out

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

Work with 3-(Difluoromethoxy)nitrobenzene

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-Nitroanisole555-03-364 % similar 1-Nitro-3-(trifluoromethoxy)benzene2995-45-159 % similar 1-Fluoro-3-nitrobenzene402-67-557 % similar 1,3-Dinitrobenzene99-65-056 % similar 3-(Difluoromethoxy)benzaldehyde85684-61-349 % similar 3-Nitrobenzaldehyde99-61-649 % similar 3-Nitrochlorobenzene121-73-349 % similar 3-Nitrophenylsulfur pentafluoride2613-26-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(Difluoromethoxy)-4-nitrobenzene1544-86-1 2-(Difluoromethoxy)nitrobenzene22225-77-0

Elsewhere

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