200,000+ products from a single source!
sales@angenechem.com
951887-50-6 | Ethyl 4-(3,4,5-trichlorophenyl)-4-oxobutanoate
CAS No: 951887-50-6 Catalog No: AG01FA70 MDL No:
Product Description
Catalog Number:
AG01FA70
Chemical Name:
Ethyl 4-(3,4,5-trichlorophenyl)-4-oxobutanoate
CAS Number:
951887-50-6
Molecular Formula:
C12H11Cl3O3
Molecular Weight:
309.5729
IUPAC Name:
ethyl 4-oxo-4-(3,4,5-trichlorophenyl)butanoate
InChI:
InChI=1S/C12H11Cl3O3/c1-2-18-11(17)4-3-10(16)7-5-8(13)12(15)9(14)6-7/h5-6H,2-4H2,1H3
InChI Key:
PPWWWBMZAFAZDS-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.977g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.567g/mol
Monoisotopic Mass:
307.977g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
© 2019 Angene International Limited. All rights Reserved.