N#Cc1cccc(CBr)c1
CAS: 28188-41-2
Name: 3-(bromomethyl)benzonitrile
SMILES: N#Cc1cccc(CBr)c1

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: CVKOOKPNCVYHNY-UHFFFAOYSA-N
Synonyme
3-(Bromomethyl)benzonitrile3-Cyanobenzyl bromide28188-41-2alpha-Bromo-m-tolunitrilem-Cyanobenzyl bromideBenzonitrile, 3-(bromomethyl)-m-(Bromomethyl)benzonitrilem-Cyano-alpha-bromotolueneEINECS 248-890-1NSC 108298m-Tolunitrile, alpha-bromo-3-(bromomethyl)-benzonitrileDTXSID8067363RefChem:566211DTXCID6037778m-Tolunitrile, alpha-bromo-(8CI)3-BromomethylbenzonitrileMFCD00001809m-Tolunitrile, .alpha.-bromo-A-BROMO-M-TOLUNITRILE.alpha.-Bromo-m-tolunitrilem-Cyano-.alpha.-bromotoluene3-(bromomethyl)benzenecarbonitrileNSC-108298alpha-Bromo-m-toluonitrile3-Cyanobenzylbromide3-Bromomethyl-benzonitrilem-cyanobenzylbromide3-cyano benzylbromide3-cyano-benzylbromide
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