4-(Bromomethyl)-1,2-dihydroquinolin-2-one

C₁₀H₈BrNOCAS 4876-10-2238.08 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₁₀H₈BrNO
Molar mass: 238.08 g/mol
Exact mass: 236.9789 Da
logP: 2.42Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage85.7% of notifiers
H315 Causes skin irritation14.3% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation14.3% of notifiers

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

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P405, P501

Identifiers

CAS number

4876-10-2

SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CBr

InChIKey

BBAHJCUCNVVEQU-UHFFFAOYSA-N

InChI

InChI=1S/C10H8BrNO/c11-6-7-5-10(13)12-9-4-2-1-3-8(7)9/h1-5H,6H2,(H,12,13)

Weigh it out

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

Names and synonyms

1 names

4-Bromomethyl-1,2-dihydroquinoline-2-one

Work with 4-(Bromomethyl)-1,2-dihydroquinolin-2-one

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-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid5162-90-350 % similar 2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid hydrochloride4876-14-647 % similar 2-Hydroxyquinoline-4-carboxylic acid84906-81-046 % similar 3-(2-Bromoethyl)indole3389-21-742 % similar Acridone578-95-041 % similar Quinacridone1047-16-141 % similar Quinolinol1321-40-040 % similar 1-(Bromomethyl)naphthalene3163-27-739 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-8-methoxyquinoline103028-31-5 6-Bromo-8-methoxyquinoline103028-32-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook