Home Halogens 2-(4-chloro-2-fluorophenyl)-2-methylpropanenitrile

2-(4-chloro-2-fluorophenyl)-2-methylpropanenitrile

CAS No.:
1095546-56-7
Catalog Number:
AG01BCPS
Molecular Formula:
C10H9ClFN
Molecular Weight:
197.6366
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BCPS
Chemical Name:
2-(4-chloro-2-fluorophenyl)-2-methylpropanenitrile
CAS Number:
1095546-56-7
Molecular Formula:
C10H9ClFN
Molecular Weight:
197.6366
MDL Number:
MFCD11036560
IUPAC Name:
2-(4-chloro-2-fluorophenyl)-2-methylpropanenitrile
InChI:
InChI=1S/C10H9ClFN/c1-10(2,6-13)8-4-3-7(11)5-9(8)12/h3-5H,1-2H3
InChI Key:
FSFBPOMYJNWPGV-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1F)Cl)(C)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.041g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.637g/mol
Monoisotopic Mass:
197.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties