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220228-03-5 | 2-(3,4,5-Trifluorophenyl)acetonitrile
CAS No: 220228-03-5 Catalog No: AG003BAU MDL No:MFCD00083531
Product Description
Catalog Number:
AG003BAU
Chemical Name:
2-(3,4,5-Trifluorophenyl)acetonitrile
CAS Number:
220228-03-5
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD00083531
IUPAC Name:
2-(3,4,5-trifluorophenyl)acetonitrile
InChI:
InChI=1S/C8H4F3N/c9-6-3-5(1-2-12)4-7(10)8(6)11/h3-4H,1H2
InChI Key:
TVSLNRQODQRVJZ-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)c(c(c1)F)F
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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