CN(C)CCCN(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-]
Nombre: N'-(4-bromo-2-nitrophenyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILES: CN(C)CCCN(C)C1=C(C=C(C=C1)Br)[N+](=O)[O-]

Molecular Processing

Molecular formula
C12H18BrN3O2
Molecular weight
316.2
Exact mass
315.0582
XLogP
2.75
TPSA
49.62
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
77.24

Supplementary Information

InChIKey: OHMKYRFNERMHSZ-UHFFFAOYSA-N
Sinónimos
SCHEMBL1263855OHMKYRFNERMHSZ-UHFFFAOYSA-NAKOS013036709N-(4-bromo-2-nitro-phenyl)-N,N',N'-trimethyl-propane-1,3-diamineN-(4-Bromo-2-nitro-phenyl)-N,N',N'-trimethylpropane-1,3-diamine
Ver fuente →
Participa en 17 reacciones→

Busqueda Extendida

Busqueda de Subestructura→Busqueda de Similitud→