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1003048-68-7

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Basic Information
CAS No.: 1003048-68-7
Name: 7-(Trifluoromethyl)-1-indanone
Article Data: 2
Molecular Structure:
Molecular Structure of 1003048-68-7 (7-(Trifluoromethyl)-1-indanone)
Formula: C10H7F3O
Molecular Weight: 200.16
Synonyms: 7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-one;7-trifluoromethyl-indan-1-one;
PSA: 17.07000
LogP: 2.83430
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Specification

The 7-(Trifluoromethyl)-1-indanone, with the cas registry number 1003048-68-7, has the IUPAC name of 7-(trifluoromethyl)-2,3-dihydroinden-1-one.

The characteristics of this chemical are as follows: (1)XLogP3-AA: 2.5; (2)H-Bond Acceptor: 4; (3)Tautomer Count: 2; (4)Exact Mass: 200.044899; (5)MonoIsotopic Mass: 200.044899; (6)Topological Polar Surface Area: 17.1; (7)Heavy Atom Count: 14; (8)Complexity: 246; (9)Covalently-Bonded Unit Count: 1.

You could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1CC(=O)C2=C1C=CC=C2C(F)(F)F
(2)InChI: InChI=1S/C10H7F3O/c11-10(12,13)7-3-1-2-6-4-5-8(14)9(6)7/h1-3H,4-5H2
(3)InChIKey: RHHGHWBHOQXKNZ-UHFFFAOYSA-N