Home Nitriles 3,5-Difluoro-4-methylbenzonitrile

3,5-Difluoro-4-methylbenzonitrile

CAS No.:
170572-50-6
Catalog Number:
AG0078QQ
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$169
- +
5g
95%
In Stock USA
United States
$663
- +
25g
95%
In Stock USA
United States
$2663
- +
Product Description
Catalog Number:
AG0078QQ
Chemical Name:
3,5-Difluoro-4-methylbenzonitrile
CAS Number:
170572-50-6
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD09835197
IUPAC Name:
3,5-difluoro-4-methylbenzonitrile
InChI:
InChI=1S/C8H5F2N/c1-5-7(9)2-6(4-11)3-8(5)10/h2-3H,1H3
InChI Key:
AIHPFQMICHSKGT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)F)C
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties