200,000+ products from a single source!
sales@angenechem.com
16714-90-2 | Pentanedioic acid, 2,2,4-trichloro-, 1,5-dimethyl ester
CAS No: 16714-90-2 Catalog No: AG001X5Z MDL No:
Product Description
Catalog Number:
AG001X5Z
Chemical Name:
Pentanedioic acid, 2,2,4-trichloro-, 1,5-dimethyl ester
CAS Number:
16714-90-2
Molecular Formula:
C7H9Cl3O4
Molecular Weight:
263.5030
IUPAC Name:
dimethyl 2,2,4-trichloropentanedioate
InChI:
InChI=1S/C7H9Cl3O4/c1-13-5(11)4(8)3-7(9,10)6(12)14-2/h4H,3H2,1-2H3
InChI Key:
NGGOQQGHCDRYGW-UHFFFAOYSA-N
SMILES:
COC(=O)C(CC(C(=O)OC)(Cl)Cl)Cl
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.495g/mol
Monoisotopic Mass:
261.957g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.