chempirical

3-(Bromomethyl)biphenyl

C13H11BrCAS 14704-31-5247.13 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C13H11Br
Molar mass
247.13 g/mol
Exact mass
246.0044 Da
logP
4.25Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
14704-31-5
SMILES
C1=CC=C(C=C1)C2=CC=CC(=C2)CBr
InChIKey
RTFPTPXBTIUISM-UHFFFAOYSA-N
InChI
InChI=1S/C13H11Br/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-9H,10H2

Weigh it out

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

Work with 3-(Bromomethyl)biphenyl

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-Bis(bromomethyl)benzene626-15-365 % similar Benzyl bromide100-39-061 % similar 3-Methylbenzyl bromide620-13-357 % similar 3-Phenoxybenzyl bromide51632-16-757 % similar 3-Fluorobenzyl bromide456-41-754 % similar 3-Chlorobenzyl bromide766-80-354 % similar 3-Bromobenzyl bromide823-78-954 % similar 3-Benzyloxybenzyl bromide1700-31-853 % similar

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

Same formula

Bromodiphenylmethane776-74-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook