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methyl 3-(2,4,5-trifluorophenyl)propanoate

methyl 3-(2,4,5-trifluorophenyl)propanoate

CAS: 1260761-29-2

Formula: C10H9F3O2

SMILES: COC(=O)CCC1=C(F)C=C(F)C(F)=C1

IUPAC: methyl 3-(2,4,5-trifluorophenyl)propanoate

InChI: InChI=1S/C10H9F3O2/c1-15-10(14)3-2-6-4-8(12)9(13)5-7(6)11/h4-5H,2-3H2,1H3

Composition: C (55.05%), H (4.16%), F (26.12%), O (14.67%)

Molar Mass: 218.175

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.055464019
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BQZGJLCVIRQSAQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.38
Topological Polar Surface Area 26.3
Polarizability 17.76
Ring Count 1
Rotatable Bond Count 4

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95% <5 Days 1260761-29-2 $1,760.00-$3,520.00$1,760.00$2,200.00$3,520.00
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