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3,3,3-trifluoro-1-phenylpropan-1-one

3,3,3-trifluoro-1-phenylpropan-1-one

CAS: 709-21-7

Formula: C9H7F3O

SMILES: FC(F)(F)CC(=O)C1=CC=CC=C1

IUPAC: 3,3,3-trifluoro-1-phenylpropan-1-one

InChI: InChI=1S/C9H7F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5H,6H2

Composition: C (57.45%), H (3.75%), F (30.29%), O (8.50%)

Molar Mass: 188.149

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.044899334
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey LBWMQVOHFPLVBY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.02
Topological Polar Surface Area 17.07
Polarizability 15.26
Ring Count 1
Rotatable Bond Count 3

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97% <2 Days 709-21-7 $89.70-$1,828.50$89.70$97.75$101.20$112.70$457.70$1,828.50
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