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15895-68-8 | Benzonitrile, 2,3,5,6-tetrafluoro-4-(trifluoromethyl)-
CAS No: 15895-68-8 Catalog No: AG001R1B MDL No:MFCD04972776
Product Description
Catalog Number:
AG001R1B
Chemical Name:
Benzonitrile, 2,3,5,6-tetrafluoro-4-(trifluoromethyl)-
CAS Number:
15895-68-8
Molecular Formula:
C8F7N
Molecular Weight:
243.0811
MDL Number:
MFCD04972776
IUPAC Name:
2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8F7N/c9-4-2(1-16)5(10)7(12)3(6(4)11)8(13,14)15
InChI Key:
VMELTIALEZBKQS-UHFFFAOYSA-N
SMILES:
N#Cc1c(F)c(F)c(c(c1F)F)C(F)(F)F
NSC Number:
168759
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.084g/mol
Monoisotopic Mass:
242.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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