4-(dibromomethyl)-3-fluorobenzoic acid

4-(dibromomethyl)-3-fluorobenzoic acid

Formula: C8H5Br2FO2

SMILES: OC(=O)C1=CC(F)=C(C=C1)C(Br)Br

IUPAC: 4-(dibromomethyl)-3-fluorobenzoic acid

InChI: InChI=1S/C8H5Br2FO2/c9-7(10)5-2-1-4(8(12)13)3-6(5)11/h1-3,7H,(H,12,13)

Composition: C (30.80%), H (1.62%), Br (51.23%), F (6.09%), O (10.26%)

Molar Mass: 311.932

Atom Count: 18

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	309.864034
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VNNBKUDCKLANIV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.08
Topological Polar Surface Area	37.3
Polarizability	20.3
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H5Br2FO2		Quote Only