Home Nitriles (3-Bromo-phenyl)-oxo-acetonitrile

(3-Bromo-phenyl)-oxo-acetonitrile

CAS No.:
24999-51-7
Catalog Number:
AG002Q4G
Molecular Formula:
C8H4BrNO
Molecular Weight:
210.0275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 95% (NMR)
1 week
United States
$133
- +
1g
≥ 95% (NMR)
1 week
United States
$213
- +
5g
≥ 95% (NMR)
1 week
United States
$608
- +
Product Description
Catalog Number:
AG002Q4G
Chemical Name:
(3-Bromo-phenyl)-oxo-acetonitrile
CAS Number:
24999-51-7
Molecular Formula:
C8H4BrNO
Molecular Weight:
210.0275
MDL Number:
MFCD06658370
IUPAC Name:
3-bromobenzoyl cyanide
InChI:
InChI=1S/C8H4BrNO/c9-7-3-1-2-6(4-7)8(11)5-10/h1-4H
InChI Key:
ZYKLXMMQMSIZBZ-UHFFFAOYSA-N
SMILES:
N#CC(=O)c1cccc(c1)Br
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.948g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.03g/mol
Monoisotopic Mass:
208.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties