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20764-96-9 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-diethoxy-
CAS No: 20764-96-9 Catalog No: AG002J6N MDL No:
Product Description
Catalog Number:
AG002J6N
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-diethoxy-
CAS Number:
20764-96-9
Molecular Formula:
C10H10Cl2O4
Molecular Weight:
265.0900
IUPAC Name:
2,5-dichloro-3,6-diethoxycyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C10H10Cl2O4/c1-3-15-9-5(11)8(14)10(16-4-2)6(12)7(9)13/h3-4H2,1-2H3
InChI Key:
IXCUULHJQDWEKS-UHFFFAOYSA-N
SMILES:
CCOC1=C(Cl)C(=O)C(=C(C1=O)Cl)OCC
NSC Number:
121153
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.996g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.086g/mol
Monoisotopic Mass:
263.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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