2-Bromoindene

C₉H₇BrCAS 10485-09-3195.06 g/mol

Open in Covalent MOL file

Alkene Vinyl halide

Properties

Molecular formula: C₉H₇Br
Molar mass: 195.06 g/mol
Exact mass: 193.9731 Da
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

10485-09-3

SMILES

C1C2=CC=CC=C2C=C1Br

InChIKey

CCUYEVNCRQDQRF-UHFFFAOYSA-N

InChI

InChI=1S/C9H7Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2

Weigh it out

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

Names and synonyms

1 names

1H-Indene, 2-bromo-

Work with 2-Bromoindene

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-Methylindene2177-47-153 % similar 2-Ethyl-1H-indene17059-50-650 % similar Indene95-13-635 % similar Dialin447-53-033 % similar 2-Indanone615-13-433 % similar 1,4-Dihydronaphthalene612-17-932 % similar Xylylene dibromide91-13-432 % similar 7-Bromo-2-methyl-1H-indene880652-93-732 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook