chempirical

2,7-Dibromopyrene

C16H8Br2CAS 102587-98-4360.05 g/mol

Open in Covalent MOL file
BrBr
Aryl halide

Properties

Molecular formula
C16H8Br2
Molar mass
360.05 g/mol
Exact mass
357.8993 Da
logP
6.11Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
102587-98-4
SMILES
C1=CC2=CC(=CC3=C2C4=C(C=C3)C=C(C=C41)Br)Br
InChIKey
IGTQPXMEWQTTBJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H8Br2/c17-13-5-9-1-2-10-6-14(18)8-12-4-3-11(7-13)15(9)16(10)12/h1-8H

Weigh it out

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

Work with 2,7-Dibromopyrene

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

2,6-Dibromoanthracene186517-01-155 % similar 3,8-Dibromophenanthroline100125-12-046 % similar 2-Bromo-7-hydroxynaphthalene116230-30-944 % similar 1,4-Dibromobenzene106-37-641 % similar 4-Bromopyrene1732-26-941 % similar 6-Bromoisoquinoline34784-05-941 % similar 1,3-Dibromobenzene108-36-140 % similar 2-Bromo-6-methoxynaphthalene5111-65-939 % similar

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

Same formula

1,8-Dibromopyrene38303-35-4

Elsewhere

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