Home Nitriles 3-Iodobenzoylacetonitrile

3-Iodobenzoylacetonitrile

CAS No.:
247206-80-0
Catalog Number:
AG002P75
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
≥ 97%
1 week
United States
$174
- +
1g
≥ 97%
1 week
United States
$310
- +
5g
≥ 97%
1 week
United States
$1127
- +
Product Description
Catalog Number:
AG002P75
Chemical Name:
3-Iodobenzoylacetonitrile
CAS Number:
247206-80-0
Molecular Formula:
C9H6INO
Molecular Weight:
271.0545
MDL Number:
MFCD04114350
IUPAC Name:
3-(3-iodophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H6INO/c10-8-3-1-2-7(6-8)9(12)4-5-11/h1-3,6H,4H2
InChI Key:
RFIKLEHQZPGRIM-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccc(c1)I
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.949g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.057g/mol
Monoisotopic Mass:
270.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
De novo parallel design, synthesis and evaluation of inhibitors against the reverse transcriptase of human immunodeficiency virus type-1 and drug-resistant variants. Journal of medicinal chemistry 20070517
Properties