Home Nitros 1-nitro-4-(pentafluoroethyl)benzene

1-nitro-4-(pentafluoroethyl)benzene

CAS No.:
60979-14-8
Catalog Number:
AG01A58Y
Molecular Formula:
C8H4F5NO2
Molecular Weight:
241.1149
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Product Description
Catalog Number:
AG01A58Y
Chemical Name:
1-nitro-4-(pentafluoroethyl)benzene
CAS Number:
60979-14-8
Molecular Formula:
C8H4F5NO2
Molecular Weight:
241.1149
MDL Number:
MFCD28122885
IUPAC Name:
1-nitro-4-(1,1,2,2,2-pentafluoroethyl)benzene
InChI:
InChI=1S/C8H4F5NO2/c9-7(10,8(11,12)13)5-1-3-6(4-2-5)14(15)16/h1-4H
InChI Key:
NWBQMKBXBNAKQN-UHFFFAOYSA-N
SMILES:
FC(C(F)(F)F)(c1ccc(cc1)[N+](=O)[O-])F
Properties
Complexity:
265  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.016g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.117g/mol
Monoisotopic Mass:
241.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties