C1=CC(=CC=C1CBr)C#N
CAS: 17201-43-3
Nom: 4-(bromomethyl)benzonitrile
SMILES: C1=CC(=CC=C1CBr)C#N

Molecular Processing

Molecular formula
C8H6BrN
Molecular weight
196.05
Exact mass
194.9684
XLogP
2.45
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
43.79

Supplementary Information

InChIKey: UMLFTCYAQPPZER-UHFFFAOYSA-N
Synonymes
4-Cyanobenzyl bromide17201-43-34-(Bromomethyl)benzonitrilep-Cyanobenzyl bromideBenzonitrile, 4-(bromomethyl)-alpha-Bromo-p-tolunitrilep-(Bromomethyl)benzonitrileBenzonitrile, p-(bromomethyl)-p-Tolunitrile, alpha-bromo-NSC 95792p-Toluonitrile, alpha-bromo-RV332B84ZGEINECS 241-246-0NSC-95792DTXSID40864744RefChem:515417DTXCID90813227InChI=1/C8H6BrN/c9-5-7-1-3-8(6-10)4-2-7/h1-4H,5H4-bromomethylbenzonitrile4-Bromomethyl-benzonitrilealpha-Bromo-p-toluonitrileMFCD00001829.alpha.-Bromo-p-tolunitrileA-BROMO-P-TOLUNITRILE4-cyanobenzylbromidep-Tolunitrile, .alpha.-bromo-p-Toluonitrile, .alpha.-bromo-4-(bromomethyl)benzenecarbonitrile4-Cyano benzyl bromide1-(bromomethyl)-4-cyanobenzene
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→