chempirical

4-Chloro-1,8-naphthalic anhydride

C12H5ClO3CAS 4053-08-1232.62 g/mol

Open in Covalent MOL file
OOOCl
Acid anhydrideAryl halide

Properties

Molecular formula
C12H5ClO3
Molar mass
232.62 g/mol
Exact mass
231.9927 Da
Melting point
216–217 °C
logP
2.80Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
4053-08-1
SMILES
O=C1OC(=O)c2ccc(Cl)c3cccc1c23
InChIKey
UJEUBSWHCGDJQU-UHFFFAOYSA-N
InChI
InChI=1S/C12H5ClO3/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

6 names
  • 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 6-chloro-
  • Naphthalic anhydride, 4-chloro-
  • 6-Chloro-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
  • 4-Chloro-1,8-naphthalenedicarboxylic anhydride
  • 4-Chloronaphthalic anhydride
  • 4-Chloro-1,8-naphthalimide anhydride

Work with 4-Chloro-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-Amino-1,8-naphthalic anhydride6492-86-063 % similar 4-Bromo-1,8-naphthalic anhydride81-86-763 % similar 1,8-Naphthalic anhydride81-84-556 % similar 3-Chlorophthalic anhydride117-21-556 % similar Naphthalenetetracarboxylic dianhydride81-30-155 % similar Perylenetetracarboxylic dianhydride128-69-853 % similar 4-Sulfonaphthalic anhydride potassium salt71501-16-151 % similar 3,6-Dichlorophthalic anhydride4466-59-550 % similar

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

Elsewhere

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