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18268-81-0 | 3,5-Cyclohexadiene-1,2-dione, 4,5-dichloro-
CAS No: 18268-81-0 Catalog No: AG00241V MDL No:MFCD18448824
Product Description
Catalog Number:
AG00241V
Chemical Name:
3,5-Cyclohexadiene-1,2-dione, 4,5-dichloro-
CAS Number:
18268-81-0
Molecular Formula:
C6H2Cl2O2
Molecular Weight:
176.9849
MDL Number:
MFCD18448824
IUPAC Name:
4,5-dichlorocyclohexa-3,5-diene-1,2-dione
InChI:
InChI=1S/C6H2Cl2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChI Key:
WJJYKBSURRIBRY-UHFFFAOYSA-N
SMILES:
ClC1=CC(=O)C(=O)C=C1Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.943g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.98g/mol
Monoisotopic Mass:
175.943g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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