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ethyl 3-(trifluoromethoxy)benzoate

ethyl 3-(trifluoromethoxy)benzoate

CAS: 677713-01-8

Formula: C10H9F3O3

SMILES: CCOC(=O)C1=CC(OC(F)(F)F)=CC=C1

IUPAC: ethyl 3-(trifluoromethoxy)benzoate

InChI: InChI=1S/C10H9F3O3/c1-2-15-9(14)7-4-3-5-8(6-7)16-10(11,12)13/h3-6H,2H2,1H3

Composition: C (51.29%), H (3.87%), F (24.34%), O (20.50%)

Molar Mass: 234.174

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 234.050378639
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GQDRBQIYYNXADN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.9
Topological Polar Surface Area 35.53
Polarizability 18.61
Ring Count 1
Rotatable Bond Count 5

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95% <5 Days 677713-01-8 $1,760.00-$3,894.00$1,760.00$2,596.00$3,894.00
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