ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate

ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate

CAS: 1226808-72-5

Formula: C11H11BrF2O2

SMILES: CCOC(=O)C(F)(F)C1=CC(Br)=CC=C1C

IUPAC: ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate

InChI: InChI=1S/C11H11BrF2O2/c1-3-16-10(15)11(13,14)9-6-8(12)5-4-7(9)2/h4-6H,3H2,1-2H3

Composition: C (45.08%), H (3.78%), Br (27.26%), F (12.96%), O (10.92%)

Molar Mass: 293.108

Atom Count: 27

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	291.991049
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BPPFUEMXTDPKSJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.67
Topological Polar Surface Area	26.3
Polarizability	22.75
Ring Count	1
Rotatable Bond Count	4

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