200,000+ products from a single source!
sales@angenechem.com
177034-22-9 | 1,3-Butanedione, 1-(4-chloro-2-fluoro-5-methoxyphenyl)-4,4,4-trifluoro-
CAS No: 177034-22-9 Catalog No: AG00252Y MDL No:
Product Description
Catalog Number:
AG00252Y
Chemical Name:
1,3-Butanedione, 1-(4-chloro-2-fluoro-5-methoxyphenyl)-4,4,4-trifluoro-
CAS Number:
177034-22-9
Molecular Formula:
C11H7ClF4O3
Molecular Weight:
298.6181
IUPAC Name:
1-(4-chloro-2-fluoro-5-methoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
InChI:
InChI=1S/C11H7ClF4O3/c1-19-9-2-5(7(13)3-6(9)12)8(17)4-10(18)11(14,15)16/h2-3H,4H2,1H3
InChI Key:
VJZDXYDOERGTKK-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)CC(=O)C(F)(F)F)c(cc1Cl)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.002g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.618g/mol
Monoisotopic Mass:
298.002g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.