Home Other Building Blocks 2-methyl-4-(pentafluoroethyl)aniline

2-methyl-4-(pentafluoroethyl)aniline

CAS No.:
226979-96-0
Catalog Number:
AG019XEK
Molecular Formula:
C9H8F5N
Molecular Weight:
225.1585
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019XEK
Chemical Name:
2-methyl-4-(pentafluoroethyl)aniline
CAS Number:
226979-96-0
Molecular Formula:
C9H8F5N
Molecular Weight:
225.1585
MDL Number:
MFCD16622020
IUPAC Name:
2-methyl-4-(1,1,2,2,2-pentafluoroethyl)aniline
InChI:
InChI=1S/C9H8F5N/c1-5-4-6(2-3-7(5)15)8(10,11)9(12,13)14/h2-4H,15H2,1H3
InChI Key:
JVPHVEVTCAXTKN-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1C)C(C(F)(F)F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.058g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.162g/mol
Monoisotopic Mass:
225.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties