CCCCOC1=NC=C(C=C1)Br
CAS: 158615-97-5
Nom: 5-bromo-2-butoxypyridine
SMILES: CCCCOC1=NC=C(C=C1)Br

Molecular Processing

Molecular formula
C9H12BrNO
Molecular weight
230.1
Exact mass
229.0102
XLogP
3.02
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
52.34

Supplementary Information

InChIKey: RHKWVOXRHVREMU-UHFFFAOYSA-N
Synonymes
5-Bromo-2-butoxypyridine158615-97-55-bromo-2-butoxy-pyridine5-bromo-2-n-butoxypyridinePyridine, 5-bromo-2-butoxy-5-bromo-2-butyloxypyridineSCHEMBL3104534DTXSID80596653RHKWVOXRHVREMU-UHFFFAOYSA-NAKOS010632085DB-064235CS-0337034F197585-Bromo-2-butoxypyridine, 158615-97-5, PubChem22137, SureCN3104534, MolPort-013-673-670, RW2947, AKOS010632085, QC-2536, RL02040, AK121870, KB-41965
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→