ethyl 2-bromo-6-fluorobenzoate

ethyl 2-bromo-6-fluorobenzoate

CAS: 1214362-62-5

Formula: C9H8BrFO2

SMILES: CCOC(=O)C1=C(Br)C=CC=C1F

IUPAC: ethyl 2-bromo-6-fluorobenzoate

InChI: InChI=1S/C9H8BrFO2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3

Composition: C (43.75%), H (3.26%), Br (32.34%), F (7.69%), O (12.95%)

Molar Mass: 247.063

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.969171
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OEFDOVREWMJGGR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.67
Topological Polar Surface Area	26.3
Polarizability	19.28
Ring Count	1
Rotatable Bond Count	3

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