Home Nitriles 2,5-Difluoro-4-(trifluoromethyl)benzonitrile

2,5-Difluoro-4-(trifluoromethyl)benzonitrile

CAS No.:
261945-24-8
Catalog Number:
AG01C9B3
Molecular Formula:
C8H2F5N
Molecular Weight:
207.1002
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Product Description
Catalog Number:
AG01C9B3
Chemical Name:
2,5-Difluoro-4-(trifluoromethyl)benzonitrile
CAS Number:
261945-24-8
Molecular Formula:
C8H2F5N
Molecular Weight:
207.1002
MDL Number:
MFCD01631622
IUPAC Name:
2,5-difluoro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H2F5N/c9-6-2-5(8(11,12)13)7(10)1-4(6)3-14/h1-2H
InChI Key:
UIUJARXSZPKAQW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1F)C(F)(F)F
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.011g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.103g/mol
Monoisotopic Mass:
207.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties