chempirical

1,4-Dichlorophthalazine

C8H4Cl2N2CAS 4752-10-7199.03 g/mol

Open in Covalent MOL file
ClNNCl
Aryl halide

Properties

Molecular formula
C8H4Cl2N2
Molar mass
199.03 g/mol
Exact mass
197.9752 Da
Melting point
163 °C
logP
2.94Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
4752-10-7
SMILES
Clc1nnc(Cl)c2ccccc12
InChIKey
ODCNAEMHGMYADO-UHFFFAOYSA-N
InChI
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H

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

Names and synonyms

1 names
  • Phthalazine, 1,4-dichloro-

Work with 1,4-Dichlorophthalazine

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-Bromo-1-chloroisoquinoline66728-98-148 % similar 3-Chloroindazole29110-74-546 % similar 9,10-Dichloroanthracene605-48-145 % similar 1,2,3,4-Tetrachloronaphthalene20020-02-443 % similar Benzo(C)cinnoline230-17-143 % similar 1,3-Dichloroisoquinoline7742-73-643 % similar Triphenylene217-59-441 % similar 9-Chloroacridine1207-69-840 % similar

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

Same formula

2,6-Dichloroquinoxaline18671-97-1 2,3-Dichloroquinoxaline2213-63-0 2,4-Dichloroquinazoline607-68-1

Elsewhere

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