Home Nitriles 4-Amino-2-ethoxy-5-fluorobenzonitrile

4-Amino-2-ethoxy-5-fluorobenzonitrile

CAS No.:
1420800-17-4
Catalog Number:
AG009X1C
Molecular Formula:
C9H9FN2O
Molecular Weight:
180.1790
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009X1C
Chemical Name:
4-Amino-2-ethoxy-5-fluorobenzonitrile
CAS Number:
1420800-17-4
Molecular Formula:
C9H9FN2O
Molecular Weight:
180.1790
MDL Number:
MFCD22689093
IUPAC Name:
4-amino-2-ethoxy-5-fluorobenzonitrile
InChI:
InChI=1S/C9H9FN2O/c1-2-13-9-4-8(12)7(10)3-6(9)5-11/h3-4H,2,12H2,1H3
InChI Key:
JGTVTCUMNOLFRG-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)c(cc1C#N)F
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.182g/mol
Monoisotopic Mass:
180.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties