chempirical

1-Bromo-5-fluoro-2-methyl-4-nitrobenzene

C7H5BrFNO2CAS 64695-96-1234.02 g/mol

Open in Covalent MOL file
BrFN+OO−
Aryl halideNitro

Properties

Molecular formula
C7H5BrFNO2
Molar mass
234.02 g/mol
Exact mass
232.9488 Da
logP
2.80Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
64695-96-1
SMILES
CC1=CC(=C(C=C1Br)F)[N+](=O)[O-]
InChIKey
RYWJXYWJUJFEMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

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Work with 1-Bromo-5-fluoro-2-methyl-4-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

4-Bromo-2,5-difluoronitrobenzene167415-27-271 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-466 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-466 % similar 1-Fluoro-5-methyl-2,4-dinitrobenzene349-01-966 % similar 1-Bromo-2,4-dimethyl-5-nitrobenzene69383-59-166 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-363 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-563 % similar 1,4-Dibromo-2-fluoro-5-nitrobenzene366496-33-561 % similar

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

Same formula

Methyl 5-bromo-3-fluoropyridine-2-carboxylate1211538-72-5 3-Fluoro-4-nitrobenzyl bromide131858-37-2 2-Amino-4-bromo-3-fluorobenzoic acid1416013-62-1 4-Fluoro-3-nitrobenzyl bromide15017-52-4 2-(Bromomethyl)-1-fluoro-3-nitrobenzene1958-93-6 4-Bromo-5-fluoro-2-nitrotoluene224185-19-7 2-Amino-3-bromo-5-fluorobenzoic acid259269-84-6 1-Bromo-5-fluoro-2-methyl-3-nitrobenzene502496-33-5

Elsewhere

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