2-(2,6-dichlorophenyl)butanedioic acid


Chemical Name: 2-(2,6-dichlorophenyl)butanedioic acid
CAS Number: 42474-07-7
Product Number: AG00727V(AGN-PC-09RR1I)
Synonyms:
MDL No:
Molecular Formula: C10H8Cl2O4
Molecular Weight: 263.0741

Identification/Properties


Computed Properties
Molecular Weight:
263.07g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
261.98g/mol
Monoisotopic Mass:
261.98g/mol
Topological Polar Surface Area:
74.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
272
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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