chempirical

4-Bromo-1,8-naphthalic anhydride

C12H5BrO3CAS 81-86-7277.07 g/mol

Open in Covalent MOL file
OOOBr
Acid anhydrideAryl halide

Properties

Molecular formula
C12H5BrO3
Molar mass
277.07 g/mol
Exact mass
275.9422 Da
Melting point
215 °C
logP
2.91Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
81-86-7
SMILES
O=C1OC(=O)c2ccc(Br)c3cccc1c23
InChIKey
DTUOTSLAFJCQHN-UHFFFAOYSA-N
InChI
InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H

Weigh it out

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

Names and synonyms

12 names
  • 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-bromo-
  • Naphthalic anhydride, 4-bromo-
  • 6-Bromo-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
  • 4-Bromonaphthalic anhydride
  • 4-Bromo-1,8-naphthalenedicarboxylic anhydride
  • 4-Bromo-1,8-naphthalic acid anhydride
  • 4-Bromonaphthalene-1,8-dicarboxylic acid anhydride
  • 4-Bromo-1,8-naphthoic anhydride
  • 4-Bromo-1,8-naphtalic anhydride
  • 8-Bromo-3-oxatricyclo[7.3.1.0 5,13]trideca-1(13),5,7,9,11-pentaene-2,4-dione
  • 6-Bromobenzo[de]isochromene-1,3-dione
  • 4-Bromo-1,8-naphthalene anhydride

Work with 4-Bromo-1,8-naphthalic anhydride

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

4-Chloro-1,8-naphthalic anhydride4053-08-163 % similar 4-Amino-1,8-naphthalic anhydride6492-86-061 % similar 1,8-Naphthalic anhydride81-84-555 % similar Naphthalenetetracarboxylic dianhydride81-30-153 % similar Perylenetetracarboxylic dianhydride128-69-852 % similar 4-Sulfonaphthalic anhydride potassium salt71501-16-150 % similar 3-Bromobenzanthrone81-96-950 % similar Phthalic anhydride85-44-948 % similar

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

Elsewhere

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