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

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

CAS: 959406-40-7

Formula: C4H5BrN2O

SMILES: CC1=NC(CBr)=NO1

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

InChI: InChI=1S/C4H5BrN2O/c1-3-6-4(2-5)7-8-3/h2H2,1H3

Composition: C (27.14%), H (2.85%), Br (45.14%), N (15.83%), O (9.04%)

Molar Mass: 177.001

Atom Count: 13

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	175.958526
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NNNHJUIJOCYFBC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.48
Topological Polar Surface Area	38.92
Polarizability	12.12
Ring Count	1
Rotatable Bond Count	1

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