9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-benzo[d]naphtho[2,3-b]pyran-8(9H)-one

C₁₉H₁₄Br₂O₃CAS 1438383-89-1450.13 g/mol

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Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₉H₁₄Br₂O₃
Molar mass: 450.13 g/mol
Exact mass: 447.9310 Da
logP: 4.72Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed25% of notifiers
H312 Harmful in contact with skin25% of notifiers
H332 Harmful if inhaled25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

1438383-89-1

SMILES

O=C(CBr)c1ccc2c(c1)COc1cc3c(cc1-2)CCC(Br)C3=O

InChIKey

NVSLOKHCHIFJDR-UHFFFAOYSA-N

InChI

InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2

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Names and synonyms

2 names

5H-Benzo[d]naphtho[2,3-b]pyran-8(9H)-one, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-
9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-dibenzo[c,g]chromen-8(9H)-one

Work with 9-Bromo-3-(2-bromoacetyl)-10,11-dihydro-5H-benzo[d]naphtho[2,3-b]pyran-8(9H)-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-Bromo-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one4629-54-339 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-139 % similar 2-Bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethan-1-one35970-34-438 % similar Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-102293-80-138 % similar 2-Bromo-1-(3,4-dimethoxyphenyl)ethanone1835-02-536 % similar 2-Bromo-1-(3-nitro-4-phenylmethoxyphenyl)ethanone43229-01-235 % similar 2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one62932-94-934 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-734 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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