6-Bromophthalazin-1(2H)-one

C₈H₅BrN₂OCAS 75884-70-7225.04 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₈H₅BrN₂O
Molar mass: 225.04 g/mol
Exact mass: 223.9585 Da
logP: 1.69Crippen estimate
Polar surface area: 45.8 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled66.7% 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

75884-70-7

SMILES

C1=CC2=C(C=C1Br)C=NNC2=O

InChIKey

QMONLZVJOOMKRW-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-4H,(H,11,12)

Weigh it out

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

Work with 6-Bromophthalazin-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

5-Bromo-1H-indazole53857-57-156 % similar 6-Bromoisoquinolin-1(2H)-one82827-09-656 % similar 6-Bromoindazole79762-54-253 % similar 6-Bromo-1H-indazol-3-ol885521-92-646 % similar 4,5-Dibromopyridazin-3-one5788-58-944 % similar 2,7-Dibromophenanthrene62325-30-844 % similar 7-Bromo-1-hydroxyisoquinoline223671-15-644 % similar 7-Bromoisoquinoline58794-09-541 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-1 7-Bromo-1H-quinazolin-4-one194851-16-6 6-Bromoquinazolin-4-ol32084-59-6 6-Bromo-1,2-dihydroquinoxalin-2-one55687-34-8 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-0 6-Bromo-2(1H)-quinazolinone79885-37-3 7-Bromo-1H-quinoxalin-2-one82031-32-1 6-Bromo-1H-indazole-3-carbaldehyde885271-72-7

Elsewhere

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