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101735-99-3 | 1,6-Hexanedione, 1,6-bis(5-chloro-2-hydroxyphenyl)-
CAS No: 101735-99-3 Catalog No: AG0005CG MDL No:
Product Description
Catalog Number:
AG0005CG
Chemical Name:
1,6-Hexanedione, 1,6-bis(5-chloro-2-hydroxyphenyl)-
CAS Number:
101735-99-3
Molecular Formula:
C18H16Cl2O4
Molecular Weight:
367.2232
IUPAC Name:
1,6-bis(5-chloro-2-hydroxyphenyl)hexane-1,6-dione
InChI:
InChI=1S/C18H16Cl2O4/c19-11-5-7-17(23)13(9-11)15(21)3-1-2-4-16(22)14-10-12(20)6-8-18(14)24/h5-10,23-24H,1-4H2
InChI Key:
RPKGHZAPGQCDRY-UHFFFAOYSA-N
SMILES:
O=C(c1cc(Cl)ccc1O)CCCCC(=O)c1cc(Cl)ccc1O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.043g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.222g/mol
Monoisotopic Mass:
366.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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