chempirical

5-Amino-2-chlorobenzonitrile

C7H5ClN2CAS 35747-58-1152.58 g/mol

Open in Covalent MOL file
H2NNCl
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H5ClN2
Molar mass
152.58 g/mol
Exact mass
152.0141 Da
logP
1.79Crippen 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
35747-58-1
SMILES
C1=CC(=C(C=C1N)C#N)Cl
InChIKey
VVDIMAMYKUTSCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2

Weigh it out

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Work with 5-Amino-2-chlorobenzonitrile

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 2,5-Diaminobenzonitrile14346-13-560 % similar 2,5-Dichlorobenzonitrile21663-61-660 % similar 2-Chlorobenzonitrile873-32-557 % similar 2-Chloro-5-iodobenzonitrile289039-29-856 % similar 5-Amino-2-methylbenzonitrile50670-64-956 % similar 5-Amino-2-fluorobenzonitrile53312-81-556 % similar 5-Bromo-2-chlorobenzonitrile57381-44-956 % similar

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

Same formula

2-Chloro-3-pyridineacetonitrile101012-32-2 6-Chloro-1H-pyrrolo[3,2-b]pyridine1021339-19-4 4-Chloro (1H)indazole13096-96-3 5-Chloro-1H-pyrrolo[2,3-C]pyridine131084-55-4 6-Chloromethyl-2-cyanopyridine135450-23-6 4-Amino-2-chlorobenzonitrile20925-27-3 4-Amino-3-chlorobenzonitrile21803-75-8 2-Chloro-6-methyl-3-pyridinecarbonitrile28900-10-9

Elsewhere

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