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ethyl 4-chloro-2-(trifluoromethyl)benzoate

ethyl 4-chloro-2-(trifluoromethyl)benzoate

CAS: 773139-28-9

Formula: C10H8ClF3O2

SMILES: CCOC(=O)C1=C(C=C(Cl)C=C1)C(F)(F)F

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

InChI: InChI=1S/C10H8ClF3O2/c1-2-16-9(15)7-4-3-6(11)5-8(7)10(12,13)14/h3-5H,2H2,1H3

Composition: C (47.55%), H (3.19%), Cl (14.03%), F (22.56%), O (12.67%)

Molar Mass: 252.62

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 252.0164917
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey KBLCHLKFRRSXGA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.61
Topological Polar Surface Area 26.3
Polarizability 19.82
Ring Count 1
Rotatable Bond Count 4

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