methyl 6-bromo-2,3,4-trifluorobenzoate

methyl 6-bromo-2,3,4-trifluorobenzoate

CAS: 1525649-77-7

Formula: C8H4BrF3O2

SMILES: COC(=O)C1=C(Br)C=C(F)C(F)=C1F

IUPAC: methyl 6-bromo-2,3,4-trifluorobenzoate

InChI: InChI=1S/C8H4BrF3O2/c1-14-8(13)5-3(9)2-4(10)6(11)7(5)12/h2H,1H3

Composition: C (35.72%), H (1.50%), Br (29.70%), F (21.19%), O (11.89%)

Molar Mass: 269.017

Atom Count: 18

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.934677
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	SPSGBYHEYYSGKR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.36
Topological Polar Surface Area	26.3
Polarizability	17.37
Ring Count	1
Rotatable Bond Count	2

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