7-Bromo-3,4-dihydroisoquinolin-1(2H)-one

C₉H₈BrNOCAS 891782-60-8226.07 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₉H₈BrNO
Molar mass: 226.07 g/mol
Exact mass: 224.9789 Da
logP: 1.74Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

891782-60-8

SMILES

C1CNC(=O)C2=C1C=CC(=C2)Br

InChIKey

DRDDOAWCDDBYHZ-UHFFFAOYSA-N

InChI

InChI=1S/C9H8BrNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-2,5H,3-4H2,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

7-Bromo-3,4-dihydro-2H-isoquinolin-1-one

Work with 7-Bromo-3,4-dihydroisoquinolin-1(2H)-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

6-Bromo-2,3-dihydro-1H-isoindol-1-one675109-26-971 % similar 7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-459 % similar 5-Bromo-2,3-dihydro-isoindol-1-one552330-86-657 % similar 7-Bromo-1-tetralone32281-97-355 % similar 6-Bromoindanone14548-39-154 % similar 4-Bromophthalimide6941-75-950 % similar 6-Bromo-3 H-isobenzofuran-1-one19477-73-745 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-3,4-dihydro-2H-isoquinolin-1-one147497-32-3 6-Bromo-3,4-dihydro-1H-quinolin-2-one3279-90-1 6-Bromo-4-methoxy-1H-indole393553-57-6 3-Bromo-4-methoxyphenylacetonitrile772-59-8

Elsewhere

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