Home Nitriles 3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile

3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile

CAS No.:
82104-75-4
Catalog Number:
AG008JQL
Molecular Formula:
C9H4BrNO2
Molecular Weight:
238.0376
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$189
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Product Description
Catalog Number:
AG008JQL
Chemical Name:
3-Bromo-1-oxo-1,3-dihydroisobenzofuran-5-carbonitrile
CAS Number:
82104-75-4
Molecular Formula:
C9H4BrNO2
Molecular Weight:
238.0376
MDL Number:
MFCD18205570
IUPAC Name:
3-bromo-1-oxo-3H-2-benzofuran-5-carbonitrile
InChI:
InChI=1S/C9H4BrNO2/c10-8-7-3-5(4-11)1-2-6(7)9(12)13-8/h1-3,8H
InChI Key:
GXRRHCPEMYNHOM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)C(Br)OC2=O
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.943g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.04g/mol
Monoisotopic Mass:
236.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties