methyl 2-bromo-4,6-difluorobenzoate

methyl 2-bromo-4,6-difluorobenzoate

CAS: 1379336-54-5

Formula: C8H5BrF2O2

SMILES: COC(=O)C1=C(F)C=C(F)C=C1Br

IUPAC: methyl 2-bromo-4,6-difluorobenzoate

InChI: InChI=1S/C8H5BrF2O2/c1-13-8(12)7-5(9)2-4(10)3-6(7)11/h2-3H,1H3

Composition: C (38.28%), H (2.01%), Br (31.83%), F (15.14%), O (12.75%)

Molar Mass: 251.027

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	249.944099
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	GFYBACALZQKFBI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.14
Topological Polar Surface Area	26.3
Polarizability	17.41
Ring Count	1
Rotatable Bond Count	2

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