200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1443331-27-8
1443331-27-8 | Methyl 5-(3,4-difluorophenyl)-3-methyl-5-oxovalerate
CAS No: 1443331-27-8 Catalog No: AG01F8K4 MDL No:
Product Description
Catalog Number:
AG01F8K4
Chemical Name:
Methyl 5-(3,4-difluorophenyl)-3-methyl-5-oxovalerate
CAS Number:
1443331-27-8
Molecular Formula:
C13H14F2O3
Molecular Weight:
256.2453
IUPAC Name:
methyl 5-(3,4-difluorophenyl)-3-methyl-5-oxopentanoate
InChI:
InChI=1S/C13H14F2O3/c1-8(6-13(17)18-2)5-12(16)9-3-4-10(14)11(15)7-9/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
YMDIBSLOZLGHHZ-UHFFFAOYSA-N
SMILES:
COC(=O)CC(CC(=O)c1ccc(c(c1)F)F)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.249g/mol
Monoisotopic Mass:
256.091g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.