chempirical

Flumetralin

C16H12ClF4N3O4CAS 62924-70-3421.73 g/mol

Open in Covalent MOL file
NFClN+OO−FFFN+OO−
Alkyl halideAryl halideNitroTertiary amine

Properties

Molecular formula
C16H12ClF4N3O4
Molar mass
421.73 g/mol
Exact mass
421.0452 Da
Melting point
102 °C
logP
5.34Crippen estimate
Polar surface area
89.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
6

Identifiers

CAS number
62924-70-3
SMILES
CCN(Cc1c(F)cccc1Cl)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIKey
PWNAWOCHVWERAR-UHFFFAOYSA-N
InChI
InChI=1S/C16H12ClF4N3O4/c1-2-22(8-10-11(17)4-3-5-12(10)18)15-13(23(25)26)6-9(16(19,20)21)7-14(15)24(27)28/h3-7H,2,8H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanamine, 2-chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluoro-
  • 2-Chloro-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-ethyl-6-fluorobenzenemethanamine
  • CGA 41065
  • Prime +
  • Premier
  • Fujiean

Work with Flumetralin

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

Benfluralin1861-40-157 % similar Trifluralin1582-09-854 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-049 % similar 1-Chloro-2-nitro-4-(trifluoromethyl)benzene121-17-547 % similar 4-Fluoro-3-nitrobenzotrifluoride367-86-245 % similar 3-Chloro-4-nitrobenzotrifluoride402-11-945 % similar 4-Chloro-3,5-dinitrobenzotrifluoride393-75-944 % similar 4-Methoxy-3-nitrobenzotrifluoride394-25-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook