chempirical

2-Amino-3-chloro-5-nitrobenzonitrile

C7H4ClN3O2CAS 20352-84-5197.58 g/mol

Open in Covalent MOL file
NN+OO−ClH2N
Aryl halideNitrileNitroPrimary amine

Properties

Molecular formula
C7H4ClN3O2
Molar mass
197.58 g/mol
Exact mass
196.9992 Da
logP
1.70Crippen estimate
Polar surface area
93.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
20352-84-5
SMILES
N#Cc1cc([N+](=O)[O-])cc(Cl)c1N
InChIKey
XVYNBLCPQVDRCH-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 2-amino-3-chloro-5-nitro-
  • Anthranilonitrile, 3-chloro-5-nitro-
  • 2-Chloro-6-cyano-4-nitroaniline
  • 2-Chloro-4-nitro-6-cyanoaniline

Work with 2-Amino-3-chloro-5-nitrobenzonitrile

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

2,6-Dichloro-4-nitroaniline99-30-969 % similar 2-Amino-3-bromo-5-nitrobenzonitrile17601-94-466 % similar 2-Chloro-5-nitrobenzonitrile16588-02-663 % similar 6-Chloro-2,4-dinitroaniline3531-19-962 % similar 2-Bromo-6-chloro-4-nitroaniline99-29-660 % similar 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-659 % similar 2-Cyano-4-nitroaniline17420-30-355 % similar 2-Chloro-4-nitro-6-(trifluoromethyl)benzenamine400-67-955 % similar

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

Same formula

6-Chloro-5-nitro-1H-indazole101420-98-8 4-Chloro-7H-pyrrolo[2,3-D]pyrimidine-6-carboxylic acid1016241-80-7

Elsewhere

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