3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole

3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole

CAS: 1146699-64-0

Formula: C9H6BrFN2O

SMILES: FC1=C(CBr)C=CC(=C1)C1=NOC=N1

IUPAC: 3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole

InChI: InChI=1S/C9H6BrFN2O/c10-4-7-2-1-6(3-8(7)11)9-12-5-14-13-9/h1-3,5H,4H2

Composition: C (42.05%), H (2.35%), Br (31.08%), F (7.39%), N (10.90%), O (6.22%)

Molar Mass: 257.062

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	255.964754
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZBKXTEJUTGXVJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.15
Topological Polar Surface Area	38.92
Polarizability	20.13
Ring Count	2
Rotatable Bond Count	2

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95%	<5 Days	1146699-64-0		$1,300.00-$2,200.00$1,300.00$1,460.00$2,200.00