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1443309-40-7 | O1-[2-(3,4-Dichlorophenyl)ethyl] O2-ethyl oxalate
CAS No: 1443309-40-7 Catalog No: AG01F9B2 MDL No:
Product Description
Catalog Number:
AG01F9B2
Chemical Name:
O1-[2-(3,4-Dichlorophenyl)ethyl] O2-ethyl oxalate
CAS Number:
1443309-40-7
Molecular Formula:
C12H12Cl2O4
Molecular Weight:
291.1273
IUPAC Name:
2-O-[2-(3,4-dichlorophenyl)ethyl] 1-O-ethyl oxalate
InChI:
InChI=1S/C12H12Cl2O4/c1-2-17-11(15)12(16)18-6-5-8-3-4-9(13)10(14)7-8/h3-4,7H,2,5-6H2,1H3
InChI Key:
XMMYHGLGQLNJSN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)OCCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.124g/mol
Monoisotopic Mass:
290.011g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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