methyl 2,4,5-trifluoro-3-methoxybenzoate

methyl 2,4,5-trifluoro-3-methoxybenzoate

CAS: 136897-64-8

Formula: C9H7F3O3

SMILES: COC(=O)C1=CC(F)=C(F)C(OC)=C1F

IUPAC: methyl 2,4,5-trifluoro-3-methoxybenzoate

InChI: InChI=1S/C9H7F3O3/c1-14-8-6(11)4(9(13)15-2)3-5(10)7(8)12/h3H,1-2H3

Composition: C (49.10%), H (3.21%), F (25.89%), O (21.80%)

Molar Mass: 220.147

Atom Count: 22

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	220.034728574
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WRNVSUJHRFXTKQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.2
Topological Polar Surface Area	35.53
Polarizability	16.73
Ring Count	1
Rotatable Bond Count	3

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