6-Bromo-1-chloro-isoquinoline

C₉H₅BrClNCAS 205055-63-6242.50 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₅BrClN
Molar mass: 242.50 g/mol
Exact mass: 240.9294 Da
logP: 3.65Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage97.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P405, P501

Identifiers

CAS number

205055-63-6

SMILES

C1=CC2=C(C=CN=C2Cl)C=C1Br

InChIKey

VOAHGGQULSSGQW-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrClN/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H

Weigh it out

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

Names and synonyms

1 names

6-Bromo-1-chloroisoquinoline

Work with 6-Bromo-1-chloro-isoquinoline

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

1,6-Dichloro-isoquinoline630421-73-763 % similar 6-Bromo-1-isoquinolinamine215453-26-259 % similar 7-Bromo-4-chloroquinazoline573675-55-554 % similar 1-Chloroisoquinoline19493-44-853 % similar 2,7-Dibromophenanthrene62325-30-852 % similar 6-Bromo-4-chloro-quinazoline38267-96-850 % similar 7-Bromo-2,4-dichloroquinazoline959237-68-446 % similar 4-Bromo-2-chloropyridine73583-37-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

8-Bromo-2-chloroquinoline163485-86-7 6-Bromo-2-chloroquinoline1810-71-5 7-Bromo-1-chloroisoquinoline215453-51-3 5-Bromo-1-chloroisoquinoline34551-41-2 6-Bromo-3-chloroisoquinoline552331-06-3 6-Bromo-4-chloroquinoline65340-70-7 4-Bromo-1-chloroisoquinoline66728-98-1 7-Bromo-4-chloroquinoline75090-52-7

Elsewhere

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