Home Nitriles 2-(3-Fluoro-2-nitrophenyl)acetonitrile

2-(3-Fluoro-2-nitrophenyl)acetonitrile

CAS No.:
105003-88-1
Catalog Number:
AG0093ZJ
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0093ZJ
Chemical Name:
2-(3-Fluoro-2-nitrophenyl)acetonitrile
CAS Number:
105003-88-1
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD13194393
IUPAC Name:
2-(3-fluoro-2-nitrophenyl)acetonitrile
InChI:
InChI=1S/C8H5FN2O2/c9-7-3-1-2-6(4-5-10)8(7)11(12)13/h1-3H,4H2
InChI Key:
LWLBXNKHOMUBAF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(CC#N)cccc1F
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties