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1161-08-6

1161-08-6 | Ethanedioic acid, 1,2-bis(2,4-dichlorophenyl) ester

CAS No: 1161-08-6 Catalog No: AG000BN5 MDL No:

Product Description

Catalog Number:
AG000BN5
Chemical Name:
Ethanedioic acid, 1,2-bis(2,4-dichlorophenyl) ester
CAS Number:
1161-08-6
Molecular Formula:
C14H6Cl4O4
Molecular Weight:
380.0070
IUPAC Name:
bis(2,4-dichlorophenyl) oxalate
InChI:
InChI=1S/C14H6Cl4O4/c15-7-1-3-11(9(17)5-7)21-13(19)14(20)22-12-4-2-8(16)6-10(12)18/h1-6H
InChI Key:
RGANGUYEXJUJML-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)OC(=O)C(=O)Oc1ccc(cc1Cl)Cl
NSC Number:
39611

Properties

Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.899g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.998g/mol
Monoisotopic Mass:
377.902g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  

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