Home Nitriles 2,5-Bis(trifluoromethyl)benzonitrile

2,5-Bis(trifluoromethyl)benzonitrile

CAS No.:
51012-27-2
Catalog Number:
AG00DE3I
Molecular Formula:
C9H3F6N
Molecular Weight:
239.1172
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Product Description
Catalog Number:
AG00DE3I
Chemical Name:
2,5-Bis(trifluoromethyl)benzonitrile
CAS Number:
51012-27-2
Molecular Formula:
C9H3F6N
Molecular Weight:
239.1172
MDL Number:
MFCD03094423
IUPAC Name:
2,5-bis(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H3F6N/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-3H
InChI Key:
OMAYRCLGTUORSS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.017g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.12g/mol
Monoisotopic Mass:
239.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties