C(C#N)Br
CAS: 590-17-0
Name: 2-bromoacetonitrile
SMILES: C(C#N)Br

Molecular Processing

Molecular formula
C2H2BrN
Molecular weight
119.95
Exact mass
118.9371
XLogP
0.9
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
4
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
19.41

Supplementary Information

InChIKey: REXUYBKPWIPONM-UHFFFAOYSA-N
Synonyms
BROMOACETONITRILE590-17-02-bromoacetonitrileAcetonitrile, bromo-Cyanomethyl bromideBromomethyl cyanideDTXSID202149607K08J16VKDTXCID001496RefChem:570321209-672-1C2H2BrNMFCD000018842-Bromoacetonitrile; Bromoacetonitrile; Bromomethyl cyanideCCRIS 6213bromo acetonitrilebromo-acetonitrile2-bromoethanenitrilealpha-BromoacetonitrileEINECS 209-672-1BRN 0956569bromacetonitrilebromoacetonitileUNII-07K08J16VKbromo acetonitrilbrornoacetonitrilecyanomethylbromideHSDB 8050monobromoacetonitrileBrCH2CN
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