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88562-23-6 | 1,3-Cyclohexanedione, 2-(2,3-dichloro-4-methoxybenzoyl)-
CAS No: 88562-23-6 Catalog No: AG004BTO MDL No:
Product Description
Catalog Number:
AG004BTO
Chemical Name:
1,3-Cyclohexanedione, 2-(2,3-dichloro-4-methoxybenzoyl)-
CAS Number:
88562-23-6
Molecular Formula:
C14H12Cl2O4
Molecular Weight:
315.1487
IUPAC Name:
2-(2,3-dichloro-4-methoxybenzoyl)cyclohexane-1,3-dione
InChI:
InChI=1S/C14H12Cl2O4/c1-20-10-6-5-7(12(15)13(10)16)14(19)11-8(17)3-2-4-9(11)18/h5-6,11H,2-4H2,1H3
InChI Key:
IXHKFCPVJOYQCA-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1Cl)Cl)C(=O)C1C(=O)CCCC1=O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.146g/mol
Monoisotopic Mass:
314.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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