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123953-61-7 | 3,5-Heptanedione, 1,7-bis(4-chlorophenyl)-
CAS No: 123953-61-7 Catalog No: AG000L9Y MDL No:
Product Description
Catalog Number:
AG000L9Y
Chemical Name:
3,5-Heptanedione, 1,7-bis(4-chlorophenyl)-
CAS Number:
123953-61-7
Molecular Formula:
C19H18Cl2O2
Molecular Weight:
349.2510
IUPAC Name:
1,7-bis(4-chlorophenyl)heptane-3,5-dione
InChI:
InChI=1S/C19H18Cl2O2/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10H,5-6,11-13H2
InChI Key:
PCNLMQRVBMEUJE-UHFFFAOYSA-N
SMILES:
O=C(CC(=O)CCc1ccc(cc1)Cl)CCc1ccc(cc1)Cl
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.068g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.251g/mol
Monoisotopic Mass:
348.068g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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