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1443353-76-1 | 4-(2,3,4-Trifluoro-phenoxy)butanenitrile
CAS No: 1443353-76-1 Catalog No: AG01FC3B MDL No:
Product Description
Catalog Number:
AG01FC3B
Chemical Name:
4-(2,3,4-Trifluoro-phenoxy)butanenitrile
CAS Number:
1443353-76-1
Molecular Formula:
C10H8F3NO
Molecular Weight:
215.1718
IUPAC Name:
4-(2,3,4-trifluorophenoxy)butanenitrile
InChI:
InChI=1S/C10H8F3NO/c11-7-3-4-8(10(13)9(7)12)15-6-2-1-5-14/h3-4H,1-2,6H2
InChI Key:
BKWDMNGJSGCWOI-UHFFFAOYSA-N
SMILES:
Fc1c(OCCCC#N)ccc(c1F)F
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.056g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.175g/mol
Monoisotopic Mass:
215.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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