ethyl 2-[2-bromo-4-(trifluoromethyl)phenyl]acetate

ethyl 2-[2-bromo-4-(trifluoromethyl)phenyl]acetate

Formula: C11H10BrF3O2

SMILES: CCOC(=O)CC1=C(Br)C=C(C=C1)C(F)(F)F

IUPAC: ethyl 2-[2-bromo-4-(trifluoromethyl)phenyl]acetate

InChI: InChI=1S/C11H10BrF3O2/c1-2-17-10(16)5-7-3-4-8(6-9(7)12)11(13,14)15/h3-4,6H,2,5H2,1H3

Composition: C (42.47%), H (3.24%), Br (25.68%), F (18.32%), O (10.29%)

Molar Mass: 311.098

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.981627
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JKXVCMCXTRJMNJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.48
Topological Polar Surface Area	26.3
Polarizability	22.74
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H10BrF3O2		Quote Only