Home Other Building Blocks Methyl 2-cyano-4-fluorobenzoate

Methyl 2-cyano-4-fluorobenzoate

CAS No.:
127510-96-7
Catalog Number:
AG000X4H
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$100
- +
25g
98%
In Stock USA
United States
$399
- +
100g
98%
In Stock USA
United States
$1187
- +
Product Description
Catalog Number:
AG000X4H
Chemical Name:
Methyl 2-cyano-4-fluorobenzoate
CAS Number:
127510-96-7
Molecular Formula:
C9H6FNO2
Molecular Weight:
179.1478
MDL Number:
MFCD11975805
IUPAC Name:
methyl 2-cyano-4-fluorobenzoate
InChI:
InChI=1S/C9H6FNO2/c1-13-9(12)8-3-2-7(10)4-6(8)5-11/h2-4H,1H3
InChI Key:
BCYCPVRVZPDHEC-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1C#N)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.15g/mol
Monoisotopic Mass:
179.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties