chempirical

[2-Nitro-4-(trifluoromethyl)phenyl]hydrazine

C7H6F3N3O2CAS 1513-50-4221.14 g/mol

Open in Covalent MOL file
FFFN+OO−HNNH2
Alkyl halideNitroPrimary amineSecondary amine

Properties

Molecular formula
C7H6F3N3O2
Molar mass
221.14 g/mol
Exact mass
221.0412 Da
logP
1.90Crippen estimate
Polar surface area
81.2 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
1513-50-4
SMILES
C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NN
InChIKey
WJBJSMUUWDXKBR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N3O2/c8-7(9,10)4-1-2-5(12-11)6(3-4)13(14)15/h1-3,12H,11H2

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Names and synonyms

1 names
  • (2-Nitro-4-trifluoromethyl-phenyl)-hydrazine

Work with [2-Nitro-4-(trifluoromethyl)phenyl]hydrazine

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-Nitro-4-(trifluoromethyl)aniline400-98-664 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-262 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-560 % similar 2-Nitro-4-(trifluoromethyl)phenol400-99-760 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-956 % similar 4-Methoxy-3-nitrobenzotrifluoride394-25-256 % similar 2-Nitro-4-(trifluoromethyl)benzonitrile778-94-956 % similar 1-Methyl-1-(2-nitro-4-(trifluoromethyl)phenyl)hydrazine120940-43-456 % similar

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

Elsewhere

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