Home Nitriles 4-Phenoxyphthalonitrile

4-Phenoxyphthalonitrile

CAS No.:
38791-62-7
Catalog Number:
AG003LYY
Molecular Formula:
C14H8N2O
Molecular Weight:
220.2261
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10g
97%
1 week
United States
$444
- +
Product Description
Catalog Number:
AG003LYY
Chemical Name:
4-Phenoxyphthalonitrile
CAS Number:
38791-62-7
Molecular Formula:
C14H8N2O
Molecular Weight:
220.2261
MDL Number:
MFCD00187787
IUPAC Name:
4-phenoxybenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C14H8N2O/c15-9-11-6-7-14(8-12(11)10-16)17-13-4-2-1-3-5-13/h1-8H
InChI Key:
CRZSSXUMRNESCC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C#N)Oc1ccccc1
NSC Number:
646245
Properties
Complexity:
342  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.064g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.231g/mol
Monoisotopic Mass:
220.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties