Home Nitriles 2-Fluoro-4-(3-nitrophenyl)benzonitrile

2-Fluoro-4-(3-nitrophenyl)benzonitrile

CAS No.:
1393441-74-1
Catalog Number:
AG009WTY
Molecular Formula:
C13H7FN2O2
Molecular Weight:
242.2053
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG009WTY
Chemical Name:
2-Fluoro-4-(3-nitrophenyl)benzonitrile
CAS Number:
1393441-74-1
Molecular Formula:
C13H7FN2O2
Molecular Weight:
242.2053
MDL Number:
MFCD22383720
IUPAC Name:
2-fluoro-4-(3-nitrophenyl)benzonitrile
InChI:
InChI=1S/C13H7FN2O2/c14-13-7-10(4-5-11(13)8-15)9-2-1-3-12(6-9)16(17)18/h1-7H
InChI Key:
NVTRRCMVIIVEIE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1F)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
360  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.049g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.209g/mol
Monoisotopic Mass:
242.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties