7-Bromo-1-chloroisoquinoline

C₉H₅BrClNCAS 215453-51-3242.50 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

Identifiers

CAS number

215453-51-3

SMILES

C1=CC(=CC2=C1C=CN=C2Cl)Br

InChIKey

UMSWWSIVPWVJOX-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 7-Bromo-1-chloroisoquinoline

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

6-Bromo-1-isoquinolinamine215453-26-246 % similar 6-Bromoisoquinoline34784-05-943 % similar 6-Bromo-4-methylquinoline41037-28-942 % similar 7-Bromo-2-chloroquinazoline953039-66-242 % similar 7-Bromo-2,4-dichloroquinazoline959237-68-442 % similar 7-Bromoquinoline4965-36-042 % similar 4,4′-Dibromo-2,2′-bipyridine18511-71-241 % similar 2,6-Dibromoanthracene186517-01-139 % 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 6-Bromo-1-chloro-isoquinoline205055-63-6 4-Bromo-1-chloroisoquinoline66728-98-1

Elsewhere

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