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Home> Hot Product Listed O   > OFMBTCUVYCQPQI-UHFFFAOYSA-N
1214375-07-1 structure

OFMBTCUVYCQPQI-UHFFFAOYSA-N

Iupac Name:methyl 3,5-dibromopyridine-4-carboxylate
CAS No.:1214375-07-1
Molecular Weight:294.93
Molecular Formula:C12H16FNO (isomer)
Names and Identifiers
Synonyms

4-(boc-amino)-3-fluoro-phenol AK183859 AKOS014124186 BG00935750 DS-10014 mfcd19382482 n-(2-fluoro-4-hydroxyphenyl)carbamic acid tert-butyl ester SCHEMBL2363945 tert-butyl 2-fluoro-4-hydroxyphenylcarbamate tert-butyl n-(2-fluoro-4-hydroxyphenyl)carbamate tert-butyl n-(2-fluoro-4-hydroxy-phenyl)carbamate ZINC66055057

Inchi
InChI=1S/C7H5Br2NO2/c1-12-7(11)6-4(8)2-10-3-5(6)9/h2-3H,1H3
InChkey
OTAPIZRUTJEJPF-UHFFFAOYSA-N
Canonical Smiles
COC(=O)C1=C(C=NC=C1Br)Br
Computational chemical data
  • Molecular Weight:294.93g/mol
  • Molecular Formula:C12H16FNO
  • Compound Is Canonicalized:True
  • Exact Mass:294.867
  • Monoisotopic Mass:292.869
  • Complexity:167
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:39.2A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • 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: AAADcYBiMAAAGAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgBAAAABrADBmgYuiJIIFACo AhD3TACCgCA1ACQA2CEoTPgIJnLAtJmEMQhkwAHI6xY0AAAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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