Name: 1-bromopyrrolidine-2,5-dione;2-(2-cyanopropan-2-yldiazenyl)-2-methylpropanenitrile

SMILES: CC(C)(C#N)N=NC(C)(C)C#N.C1CC(=O)N(C1=O)Br

Molecular Processing

Molecular formula

C12H16BrN5O2

Molecular weight

342.2

Exact mass

341.0487

XLogP

2.49

TPSA

109.68

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.667

Molar refractivity

74.25

Supplementary Information

InChIKey: RFEQISSOFWRVMQ-UHFFFAOYSA-N

Synonyme

NBS AIBNSCHEMBL1318673SCHEMBL21985985RFEQISSOFWRVMQ-UHFFFAOYSA-N