3-[3-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole

3-[3-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole

CAS: 253273-90-4

Formula: C10H9BrN2O

SMILES: CC1=NC(=NO1)C1=CC(CBr)=CC=C1

IUPAC: 3-[3-(bromomethyl)phenyl]-5-methyl-1,2,4-oxadiazole

InChI: InChI=1S/C10H9BrN2O/c1-7-12-10(13-14-7)9-4-2-3-8(5-9)6-11/h2-5H,6H2,1H3

Composition: C (47.46%), H (3.58%), Br (31.57%), N (11.07%), O (6.32%)

Molar Mass: 253.099

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	251.989826
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CERZNQPNTHWEAD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.38
Topological Polar Surface Area	38.92
Polarizability	22.03
Ring Count	2
Rotatable Bond Count	2

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