200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 115665-92-4
115665-92-4 | 3-Buten-2-one, 4-[4-(trifluoromethyl)phenyl]-, (3E)-
CAS No: 115665-92-4 Catalog No: AG000GPK MDL No:
Product Description
Catalog Number:
AG000GPK
Chemical Name:
3-Buten-2-one, 4-[4-(trifluoromethyl)phenyl]-, (3E)-
CAS Number:
115665-92-4
Molecular Formula:
C11H9F3O
Molecular Weight:
214.1838
IUPAC Name:
4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
InChI:
InChI=1S/C11H9F3O/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h2-7H,1H3
InChI Key:
PHVQEHOBDSECPV-UHFFFAOYSA-N
SMILES:
CC(=O)/C=C/c1ccc(cc1)C(F)(F)F
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.187g/mol
Monoisotopic Mass:
214.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.