Home Nitriles 2-Bromo-4,5-dimethoxyphenylacetonitrile

2-Bromo-4,5-dimethoxyphenylacetonitrile

CAS No.:
51655-39-1
Catalog Number:
AG00D8H5
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$108
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Product Description
Catalog Number:
AG00D8H5
Chemical Name:
2-Bromo-4,5-dimethoxyphenylacetonitrile
CAS Number:
51655-39-1
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
MDL Number:
MFCD00016385
IUPAC Name:
2-(2-bromo-4,5-dimethoxyphenyl)acetonitrile
InChI:
InChI=1S/C10H10BrNO2/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2/h5-6H,3H2,1-2H3
InChI Key:
OYPMCZMEPRFUFJ-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)c(cc1Br)OC
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties