chempirical

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

Open in Covalent MOL file
OBrOBrO
Alkyl halideEtherKetone

Properties

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

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

1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-139 % similar Ethanone, 2-bromo-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-102293-80-138 % similar 2-Bromo-1-[3-nitro-4-(phenylmethoxy)phenyl]ethanone43229-01-235 % similar 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]4072-67-734 % similar 2-(Bromoacetyl)naphthalene613-54-733 % similar 1-[1,1′-Biphenyl]-4-yl-2-bromoethanone135-73-932 % similar 5-(2-Bromoacetyl)-2-hydroxybenzamide73866-23-631 % similar 2-Bromo-3′-methoxyacetophenone5000-65-731 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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