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1,1,1-Trifluoro-6-phenylhex-5-ene-2,4-dione

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Catalog Number

ACM18931641

Product Name

Structure

CAS

18931-64-1

Synonyms

DS-16908; MP-0805; 1,1,1-Trifluoro-6-phenylhex-5-(E)-ene-2,4-dione; SMSF0006195; Z4339; ST2414705; CB01500; AC1NSWQE; C12H9F3O2; 18931-64-1;

IUPAC Name

(E)-1,1,1-trifluoro-6-phenylhex-5-ene-2,4-dione;

Molecular Weight

242.197g/mol

Molecular Formula

C12H9F3O2;

Canonical SMILES

C1=CC=C(C=C1)C=CC(=O)CC(=O)C(F)(F)F;

InChI

InChI=1S/C12H9F3O2/c13-12(14,15)11(17)8-10(16)7-6-9-4-2-1-3-5-9/h1-7H,8H2/b7-6+;

InChI Key

CSOPVKUECMSWBR-VOTSOKGWSA-N;

Complexity

312

Covalently-Bonded Unit Count

Defined Bond Stereocenter Count

Exact Mass

242.055g/mol

H-Bond Acceptor

Heavy Atom Count

Monoisotopic Mass

242.055g/mol

Rotatable Bond Count

Topological Polar Surface Area

34.1A^2

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