chempirical

Pentachlorobenzonitrile

C7Cl5NCAS 20925-85-3275.33 g/mol

Open in Covalent MOL file
NClClClClCl
Aryl halideNitrile

Properties

Molecular formula
C7Cl5N
Molar mass
275.33 g/mol
Exact mass
272.8473 Da
logP
4.83Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
20925-85-3
SMILES
C(#N)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl
InChIKey
INICGXSKJYKEIV-UHFFFAOYSA-N
InChI
InChI=1S/C7Cl5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

Weigh it out

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

Work with Pentachlorobenzonitrile

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

5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-352 % similar 2,6-Dichlorobenzonitrile1194-65-643 % similar 2,3,4,5-Tetrachlorobenzonitrile36245-95-142 % similar 2,5-Dichloro-4,6-dimethyl-3-pyridinecarbonitrile91591-63-839 % similar 2,4,6-Trifluorobenzene-1,3,5-tricarbonitrile3638-97-938 % similar 2-Amino-4-chloro-5-formyl-3-thiophenecarbonitrile104366-23-638 % similar 2,3-Dichlorobenzonitrile6574-97-637 % similar 9,10-Dicyanoanthracene1217-45-436 % similar

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

Elsewhere

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