chempirical

3,5-Dibromobenzonitrile

C7H3Br2NCAS 97165-77-0260.92 g/mol

Open in Covalent MOL file
BrBrN
Aryl halideNitrile

Properties

Molecular formula
C7H3Br2N
Molar mass
260.92 g/mol
Exact mass
258.8632 Da
logP
3.08Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
97165-77-0
SMILES
C1=C(C=C(C=C1Br)Br)C#N
InChIKey
QUJGDNCWTBTBQD-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Weigh it out

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Work with 3,5-Dibromobenzonitrile

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-Bromobenzene-1,3-dicarbonitrile160892-07-989 % similar 3-Bromo-5-fluorobenzonitrile179898-34-168 % similar 3-Bromo-5-chlorobenzonitrile304854-55-568 % similar 3-Bromobenzonitrile6952-59-660 % similar 5-Bromonicotinonitrile35590-37-558 % similar 4-Bromobenzonitrile623-00-757 % similar 1,3,5-Tribromobenzene626-39-150 % similar 4-Bromo-2,6-difluorobenzonitrile123843-67-448 % similar

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

Elsewhere

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