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Home > Fluorides > 826990-68-5
826990-68-5 | 2-Butynenitrile, 4-[3-(trifluoromethyl)phenoxy]-
CAS No: 826990-68-5 Catalog No: AG004WU5 MDL No:
Product Description
Catalog Number:
AG004WU5
Chemical Name:
2-Butynenitrile, 4-[3-(trifluoromethyl)phenoxy]-
CAS Number:
826990-68-5
Molecular Formula:
C11H6F3NO
Molecular Weight:
225.1666
IUPAC Name:
4-[3-(trifluoromethyl)phenoxy]but-2-ynenitrile
InChI:
InChI=1S/C11H6F3NO/c12-11(13,14)9-4-3-5-10(8-9)16-7-2-1-6-15/h3-5,8H,7H2
InChI Key:
MDMTZFCEJSGUQS-UHFFFAOYSA-N
SMILES:
N#CC#CCOc1cccc(c1)C(F)(F)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.17g/mol
Monoisotopic Mass:
225.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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