1-Chloro-3-fluoro-2-nitrobenzene

C₆H₃ClFNO₂CAS 64182-61-2175.54 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃ClFNO₂
Molar mass: 175.54 g/mol
Exact mass: 174.9836 Da
logP: 2.39Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

64182-61-2

SMILES

O=[N+]([O-])c1c(F)cccc1Cl

InChIKey

GOIUPLBHNRTTIO-UHFFFAOYSA-N

InChI

InChI=1S/C6H3ClFNO2/c7-4-2-1-3-5(8)6(4)9(10)11/h1-3H

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

Names and synonyms

2 names

Benzene, 1-chloro-3-fluoro-2-nitro-
2-Chloro-6-fluoronitrobenzene

Work with 1-Chloro-3-fluoro-2-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

1,3-Difluoro-2-nitrobenzene19064-24-575 % similar 1,3-Dichloro-2-nitrobenzene601-88-771 % similar 1-Bromo-3-fluoro-2-nitrobenzene886762-70-564 % similar 1-Fluoro-3-methyl-2-nitrobenzene3013-27-262 % similar 3-Fluoro-2-nitrophenol385-01-362 % similar 3-Fluoro-2-nitrobenzenamine567-63-562 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-059 % similar 3-Chloro-2-nitrobenzenamine59483-54-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-fluoro-3-nitrobenzene2106-49-2 2-Chloro-4-fluoro-1-nitrobenzene2106-50-5 2-Chloro-1-fluoro-3-nitrobenzene21397-07-9 1-Chloro-4-fluoro-2-nitrobenzene345-17-5 4-Chloro-1-fluoro-2-nitrobenzene345-18-6 3-Chloro-4-fluoronitrobenzene350-30-1 1-Chloro-2-fluoro-4-nitrobenzene350-31-2 6-Chloro-5-fluoropyridine-3-carboxylic acid38186-86-6

Elsewhere

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