chempirical

1-(4-Bromophenyl)cyclopropanecarbonitrile

C10H8BrNCAS 124276-67-1222.08 g/mol

Open in Covalent MOL file
NBr
Aryl halideNitrile

Properties

Molecular formula
C10H8BrN
Molar mass
222.08 g/mol
Exact mass
220.9840 Da
logP
3.00Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
124276-67-1
SMILES
C1CC1(C#N)C2=CC=C(C=C2)Br
InChIKey
BWPZBXQENXGRQV-UHFFFAOYSA-N
InChI
InChI=1S/C10H8BrN/c11-9-3-1-8(2-4-9)10(7-12)5-6-10/h1-4H,5-6H2

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Names and synonyms

1 names
  • 1-(4-Bromophenyl)cyclopropanecarbonitrile, 97

Work with 1-(4-Bromophenyl)cyclopropanecarbonitrile

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

1-Phenylcyclopropanecarbonitrile935-44-463 % similar 2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-055 % similar 1-Phenylcyclopentanecarbonitrile77-57-653 % similar 1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-852 % similar 1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile56326-98-845 % similar Tetrakis(4-bromophenyl)methane105309-59-944 % similar 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-644 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-644 % similar

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

Same formula

1-(3-Bromophenyl)-1H-pyrrole107302-22-7 1-Bromo-2-naphthalenamine20191-75-7 1-Amino-4-bromonaphthalene2298-07-9 6-Bromo-4-methylquinoline41037-28-9 8-Bromo-1-naphthalenamine62456-34-2 6-Bromo-2-methylquinoline877-42-9

Elsewhere

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