1-Fluoro-3-methyl-2-nitrobenzene

C₇H₆FNO₂CAS 3013-27-2155.13 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
logP: 2.04Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

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 3 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

3013-27-2

SMILES

CC1=C(C(=CC=C1)F)[N+](=O)[O-]

InChIKey

JSXAJLMUBSEJFF-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c1-5-3-2-4-6(8)7(5)9(10)11/h2-4H,1H3

Weigh it out

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Names and synonyms

1 names

3-Fluoro-2-nitrotoluene

Work with 1-Fluoro-3-methyl-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

2,6-Dimethylnitrobenzene81-20-979 % similar 1,3-Difluoro-2-nitrobenzene19064-24-572 % similar 2,3-Dinitrotoluene602-01-764 % similar 3-Bromo-2-nitrotoluene52414-97-862 % similar 1-Chloro-3-methyl-2-nitrobenzene5367-26-062 % similar 1-Chloro-3-fluoro-2-nitrobenzene64182-61-262 % similar 1-Bromo-3-fluoro-2-nitrobenzene886762-70-562 % similar 2-Fluoro-6-methoxynitrobenzene641-49-661 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5 2-Amino-5-fluorobenzoic acid446-08-2

Elsewhere

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