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24909-17-9 | 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-diphenyl-
CAS No: 24909-17-9 Catalog No: AG002PTI MDL No:
Product Description
Catalog Number:
AG002PTI
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-diphenyl-
CAS Number:
24909-17-9
Molecular Formula:
C18H10Cl2O2
Molecular Weight:
329.1768
IUPAC Name:
2,5-dichloro-3,6-diphenylcyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C18H10Cl2O2/c19-15-13(11-7-3-1-4-8-11)17(21)16(20)14(18(15)22)12-9-5-2-6-10-12/h1-10H
InChI Key:
IJUJYRJLDUZIBE-UHFFFAOYSA-N
SMILES:
ClC1=C(c2ccccc2)C(=O)C(=C(C1=O)c1ccccc1)Cl
NSC Number:
111557
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.006g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.176g/mol
Monoisotopic Mass:
328.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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