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Home> Hot Product Listed P   > Phosphoric acid,2,4-dibromophenyl diphenyl ester
1616253-26-9 structure

Phosphoric acid,2,4-dibromophenyl diphenyl ester

Iupac Name:methyl (2S)-2-[[1-(5-fluoropentyl)indole-3-carbonyl]amino]-3-methylbutanoate
CAS No.:1616253-26-9
Molecular Weight:362.445g/mol
Molecular Formula:C21H18O3S3 (isomer)
Names and Identifiers
Synonyms

(2,4-dibromophenyl) diphenyl phosphate 2,4-dibromophenyl diphenyl phosphate AC1MI1CY acm31066452 CTK8I1358 DTXSID40185022 OR074926 phosphoric acid 2,4-dibromophenyldiphenyl ester SCHEMBL5704272 ZINC33506148

Inchi
InChI=1S/C20H27FN2O3/c1-14(2)18(20(25)26-3)22-19(24)16-13-23(12-8-4-7-11-21)17-10-6-5-9-15(16)17/h5-6,9-10,13-14,18H,4,7-8,11-12H2,1-3H3,(H,22,24)/t18-/m0/s1
InChkey
JFXASAFVUQVGEW-SFHVURJKSA-N
Canonical Smiles
CC(C)C(C(=O)OC)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
Properties
Density
1.029
Boiling Point
432.6°Cat760mmHg
Flash Point
137.2°C
Computational chemical data
  • Molecular Weight:362.445g/molg/mol
  • Molecular Formula:C21H18O3S3
  • Compound Is Canonicalized:True
  • Exact Mass:362.201
  • Monoisotopic Mass:362.201
  • Complexity:472
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:60.3A^2
  • Heavy Atom Count:26
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHwAQAAAADSjBngY+yPPMFACo AzX3XACCgCA1AiAI2KG4ZNgKIPrA1bGFIYhklgDYyccciMCOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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