200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 821799-40-0
821799-40-0 | Benzene, [1-(2-phenylethyl)-1-(trifluoromethyl)-2-propenyl]-
CAS No: 821799-40-0 Catalog No: AG0056PN MDL No:
Product Description
Catalog Number:
AG0056PN
Chemical Name:
Benzene, [1-(2-phenylethyl)-1-(trifluoromethyl)-2-propenyl]-
CAS Number:
821799-40-0
Molecular Formula:
C18H17F3
Molecular Weight:
290.3228
IUPAC Name:
[3-phenyl-3-(trifluoromethyl)pent-4-enyl]benzene
InChI:
InChI=1S/C18H17F3/c1-2-17(18(19,20)21,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h2-12H,1,13-14H2
InChI Key:
VNUNHKWMIWIUBF-UHFFFAOYSA-N
SMILES:
C=CC(C(F)(F)F)(c1ccccc1)CCc1ccccc1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.329g/mol
Monoisotopic Mass:
290.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.