Cas no 61103-09-1 (1,4-Naphthalenedione, 2,3-dichloro-6-methyl-5-phenyl-)
61103-09-1 structure
Product Name:1,4-Naphthalenedione, 2,3-dichloro-6-methyl-5-phenyl-
CAS No:61103-09-1
MF:C17H10Cl2O2
MW:317.1661028862
CID:491799
PubChem ID:12315759
Update Time:2025-04-19
1,4-Naphthalenedione, 2,3-dichloro-6-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2,3-dichloro-6-methyl-5-phenyl-
- 2,3-dichloro-6-methyl-5-phenylnaphthalene-1,4-dione
- DTXSID10487505
- 61103-09-1
-
- Inchi： 1S/C17H10Cl2O2/c1-9-7-8-11-13(12(9)10-5-3-2-4-6-10)17(21)15(19)14(18)16(11)20/h2-8H,1H3
- InChI Key： NTNNQMDYFWMBLE-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C2C=CC(C)=C(C3C=CC=CC=3)C=2C1=O)=O)Cl
Computed Properties
- Exact Mass: 316.0059
- Monoisotopic Mass: 316.0057849g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 491
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 2,3-dichloro-6-methyl-5-phenyl- Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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