methyl 2-chloro-4-(trifluoromethyl)benzoate

methyl 2-chloro-4-(trifluoromethyl)benzoate

CAS: 192805-96-2

Formula: C9H6ClF3O2

SMILES: COC(=O)C1=CC=C(C=C1Cl)C(F)(F)F

IUPAC: methyl 2-chloro-4-(trifluoromethyl)benzoate

InChI: InChI=1S/C9H6ClF3O2/c1-15-8(14)6-3-2-5(4-7(6)10)9(11,12)13/h2-4H,1H3

Composition: C (45.31%), H (2.53%), Cl (14.86%), F (23.89%), O (13.41%)

Molar Mass: 238.59

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.0008416
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QJZUPDUXEBVQHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.86
Topological Polar Surface Area	26.3
Polarizability	18.05
Ring Count	1
Rotatable Bond Count	3

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