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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organobromine compound > zxi 8901

Preferred term

zxi 8901  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C26H22BrF2NO4

has_functional_parent

has_role

inchi

  • InChI=1S/C26H22BrF2NO4/c1-16(2)24(17-6-10-21(11-7-17)33-26(28)29)25(31)34-23(15-30)18-4-3-5-22(14-18)32-20-12-8-19(27)9-13-20/h3-14,16,23-24,26H,1-2H3

inchikey

  • BUHNCQOJJZAOMJ-UHFFFAOYSA-N

mass

  • 530.35803

monoisotopicmass

  • 529.07003

smiles

  • CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccc(Br)cc2)c1)c1ccc(OC(F)F)cc1

subset

  • 3_STAR

synonym EXACT

  • [3-(4-bromophenoxy)phenyl](cyano)methyl 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate

synonym RELATED

  • flubrocythrinate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:39402

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