chempirical

2-Bromo-4,6-difluorophenyl isocyanate

C7H2BrF2NOCAS 190774-48-2234.00 g/mol

Open in Covalent MOL file
FNOBrF
Aryl halideIsocyanate

Properties

Molecular formula
C7H2BrF2NO
Molar mass
234.00 g/mol
Exact mass
232.9288 Da
logP
2.69Crippen estimate
Polar surface area
29.4 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
190774-48-2
SMILES
C1=C(C=C(C(=C1F)N=C=O)Br)F
InChIKey
NPRYGRLJCFTSBA-UHFFFAOYSA-N
InChI
InChI=1S/C7H2BrF2NO/c8-5-1-4(9)2-6(10)7(5)11-3-12/h1-2H

Weigh it out

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

Work with 2-Bromo-4,6-difluorophenyl isocyanate

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

2,4-Difluorophenyl isocyanate59025-55-749 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-947 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-547 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-347 % similar 2,6-Difluorophenyl isocyanate65295-69-446 % similar 1,4-Difluoro-2-isocyanatobenzene39718-32-645 % similar 2-Bromo-4,6-difluoroiodobenzene175278-11-244 % similar 1,3,5-Trifluoro-2-isothiocyanatobenzene206761-91-344 % similar

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

Elsewhere

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