chempirical

4-Amino-2-bromobenzonitrile

C7H5BrN2CAS 53312-82-6197.03 g/mol

Open in Covalent MOL file
H2NBrN
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5BrN2
Molar mass
197.03 g/mol
Exact mass
195.9636 Da
logP
1.90Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
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
53312-82-6
SMILES
C1=CC(=C(C=C1N)Br)C#N
InChIKey
OSYGPHDNNWRFJO-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2

Weigh it out

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Work with 4-Amino-2-bromobenzonitrile

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-1,2-benzenedicarbonitrile56765-79-864 % similar 4-Amino-2-chlorobenzonitrile20925-27-356 % similar 2-Bromo-4-fluorobenzonitrile36282-26-556 % similar 2-Bromo-4-methylbenzonitrile42872-73-156 % similar 4-Amino-2-fluorobenzonitrile53312-80-456 % similar 2-Bromo-4-chlorobenzonitrile57381-49-456 % similar 2,5-Diaminobenzonitrile14346-13-555 % similar 2-Bromobenzonitrile2042-37-754 % similar

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

Same formula

5-Bromo-4-azaindole1000341-51-4 2-Bromo-5-cyano-4-picoline1003711-35-0 5-Bromopyrazolo[1,5-A]pyridine1060812-84-1 2-Amino-3-bromobenzonitrile114344-60-4 5-Bromo-1H-pyrrolo[2,3-c]pyridine1215387-58-8 6-Bromopyrazolo(1,5-a)pyridine1264193-11-4 6-Bromo-1H-pyrrolo[2,3-B]pyridine143468-13-7 5-Bromo-3-methylpyridine-2-carbonitrile156072-86-5

Elsewhere

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