4-Bromo-3-chloro-2-fluoroaniline

C6H4BrClFNCAS 115843-99-7224.46 g/mol

Open in Covalent MOL file
H2NFClBr
Aryl halidePrimary amine

Properties

Molecular formula
C6H4BrClFN
Molar mass
224.46 g/mol
Exact mass
222.9200 Da
logP
2.82Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
115843-99-7
SMILES
C1=CC(=C(C(=C1N)F)Cl)Br
InChIKey
WYXZIQDHENNEPU-UHFFFAOYSA-N
InChI
InChI=1S/C6H4BrClFN/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2

Weigh it out

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Work with 4-Bromo-3-chloro-2-fluoroaniline

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-2,3-difluorobenzenamine112279-72-864 % similar 4-Bromo-2,3-dichlorobenzenamine56978-48-464 % similar 3-Bromo-2-fluorobenzenamine58534-95-559 % similar 4-Amino-2-chloro-3-fluorobenzonitrile757247-99-751 % similar 1-Bromo-3-chloro-2,4-difluorobenzene201849-13-050 % similar 3,5-Dichloro-2,4-difluorobenzenamine83121-15-745 % similar 1-Bromo-2-chloro-3-fluorobenzene883499-24-945 % similar 1,4-Dibromo-2,3-difluorobenzene156682-52-944 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromo-4-chloro-6-fluorobenzenamine195191-47-0 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-1

Elsewhere

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