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methyl 2-(trifluoromethyl)benzoate

methyl 2-(trifluoromethyl)benzoate

CAS: 344-96-7

Formula: C9H7F3O2

SMILES: COC(=O)C1=CC=CC=C1C(F)(F)F

IUPAC: methyl 2-(trifluoromethyl)benzoate

InChI: InChI=1S/C9H7F3O2/c1-14-8(13)6-4-2-3-5-7(6)9(10,11)12/h2-5H,1H3

Composition: C (52.95%), H (3.46%), F (27.92%), O (15.67%)

Molar Mass: 204.148

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 204.039813954
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JLCAMDSWNZBTEE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.06
Topological Polar Surface Area 26.3
Polarizability 16.03
Ring Count 1
Rotatable Bond Count 3

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