chempirical

Hexakis(bromomethyl)benzene

C12H12Br6CAS 3095-73-6635.65 g/mol

Open in Covalent MOL file
BrBrBrBrBrBr
Alkyl halide

Properties

Molecular formula
C12H12Br6
Molar mass
635.65 g/mol
Exact mass
629.6039 Da
Melting point
297 °C
logP
7.06Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
3095-73-6
SMILES
BrCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr
InChIKey
XJOUCILNLRXRTF-UHFFFAOYSA-N
InChI
InChI=1S/C12H12Br6/c13-1-7-8(2-14)10(4-16)12(6-18)11(5-17)9(7)3-15/h1-6H2

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Names and synonyms

5 names
  • Benzene, 1,2,3,4,5,6-hexakis(bromomethyl)-
  • Benzene, hexakis(bromomethyl)-
  • 1,2,3,4,5,6-Hexakis(bromomethyl)benzene
  • NSC 28057
  • 1,2,3,4,5,6-Hexa(bromomethyl)benzene

Work with Hexakis(bromomethyl)benzene

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

1,3,5-Tris(bromomethyl)-2,4,6-trimethylbenzene21988-87-453 % similar 2,6-Dichlorobenzyl bromide20443-98-542 % similar 1,4-Bis(bromomethyl)benzene623-24-540 % similar 2,6-Difluorobenzyl bromide85118-00-940 % similar 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-338 % similar Benzyl bromide100-39-033 % similar 2-(Bromomethyl)-3-chloro-1,4-difluorobenzene90292-67-433 % similar 1,3-Bis(bromomethyl)benzene626-15-332 % similar

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

Elsewhere

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