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methyl 2-methoxy-5-(trifluoromethyl)benzoate

methyl 2-methoxy-5-(trifluoromethyl)benzoate

CAS: 177174-47-9

Formula: C10H9F3O3

SMILES: COC(=O)C1=CC(=CC=C1OC)C(F)(F)F

IUPAC: methyl 2-methoxy-5-(trifluoromethyl)benzoate

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

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 PWDFDEHWTMGSCO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.52
Topological Polar Surface Area 35.53
Polarizability 18.59
Ring Count 1
Rotatable Bond Count 4

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