Home Nitriles 4-Fluoro-3,5-dimethylbenzonitrile

4-Fluoro-3,5-dimethylbenzonitrile

CAS No.:
867367-02-0
Catalog Number:
AG00GY78
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00GY78
Chemical Name:
4-Fluoro-3,5-dimethylbenzonitrile
CAS Number:
867367-02-0
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
MDL Number:
MFCD09832248
IUPAC Name:
4-fluoro-3,5-dimethylbenzonitrile
InChI:
InChI=1S/C9H8FN/c1-6-3-8(5-11)4-7(2)9(6)10/h3-4H,1-2H3
InChI Key:
GBFXDVCTTXEAQJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)F
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.168g/mol
Monoisotopic Mass:
149.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties