5-Bromo-4-fluoro-2-methylaniline

C7H7BrFNCAS 627871-16-3204.04 g/mol

Open in Covalent MOL file
H2NBrF
Aryl halidePrimary amine

Properties

Molecular formula
C7H7BrFN
Molar mass
204.04 g/mol
Exact mass
202.9746 Da
logP
2.48Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
627871-16-3
SMILES
CC1=CC(=C(C=C1N)Br)F
InChIKey
DNCLVDGUXUSPTL-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BrFN/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,10H2,1H3

Weigh it out

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Work with 5-Bromo-4-fluoro-2-methylaniline

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

4,5-Difluoro-2-methylaniline875664-57-667 % similar 5-Bromo-2,4-difluoroaniline452-92-664 % similar 4-Bromo-2,5-difluoroaniline112279-60-459 % similar 1-Bromo-2,4-difluoro-5-methylbenzene159277-47-159 % similar 1-Bromo-4,5-difluoro-2-methylbenzene875664-38-355 % similar 4-Bromo-5-fluoro-2-methoxyaniline330794-03-153 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-550 % similar 2,5-Dimethyl-p-phenylenediamine6393-01-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2-fluorobenzenemethanamine112734-22-2 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-8 2-Bromo-5-fluoro-4-methylaniline202865-78-9 2-Bromo-5-fluorobenzenemethanamine747392-34-3

Elsewhere

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