methyl 3-bromo-2,4-difluorobenzoate

methyl 3-bromo-2,4-difluorobenzoate

CAS: 935534-49-9

Formula: C8H5BrF2O2

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

IUPAC: methyl 3-bromo-2,4-difluorobenzoate

InChI: InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-3-5(10)6(9)7(4)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	SKRVCQHKXUICKH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.14
Topological Polar Surface Area	26.3
Polarizability	17.42
Ring Count	1
Rotatable Bond Count	2

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90%	<2 Days	935534-49-9		$51.35-$898.04$51.35$63.37$86.31$898.04