ethyl 3-bromo-2,5-difluorobenzoate

ethyl 3-bromo-2,5-difluorobenzoate

CAS: 1504876-00-9

Formula: C9H7BrF2O2

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

IUPAC: ethyl 3-bromo-2,5-difluorobenzoate

InChI: InChI=1S/C9H7BrF2O2/c1-2-14-9(13)6-3-5(11)4-7(10)8(6)12/h3-4H,2H2,1H3

Composition: C (40.78%), H (2.66%), Br (30.15%), F (14.34%), O (12.07%)

Molar Mass: 265.054

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	263.959749
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LNANLRIATMKUKI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.89
Topological Polar Surface Area	26.3
Polarizability	19.18
Ring Count	1
Rotatable Bond Count	3

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