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Home> Hot Product Listed M   > MOLPORT-007-545-650
573701-88-9 structure

MOLPORT-007-545-650

Iupac Name:methyl 2-amino-2-(2-fluorophenyl)acetate
CAS No.:573701-88-9
Molecular Weight:183.182
Molecular Formula:C22H23FN4O3 (isomer)
Names and Identifiers
Synonyms

MCULE-1848271905 n-(2-methyl-3-oxo-3,4-dihydro-2h-1,4-benzoxazin-6-yl)-5-nitro-2-phenoxybenzamide T6459822 Z442692396

Inchi
InChI=1S/C9H10FNO2/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8H,11H2,1H3
InChkey
NNBTVDCABPEXGX-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C(C1=CC=CC=C1F)N
Computational chemical data
  • Molecular Weight:183.182g/mol
  • Molecular Formula:C22H23FN4O3
  • Compound Is Canonicalized:True
  • Exact Mass:183.07
  • Monoisotopic Mass:183.07
  • Complexity:187
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:52.3A^2
  • Heavy Atom Count:13
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMQAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHwAQAAAADCjBmA4yCIBABACI AiDSCACCAAAgAAAIiIGABIgKIDKAlRGBIABkwAEIiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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