Cas no 874584-18-6 (1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl-)
874584-18-6 structure
Product Name:1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl-
CAS No:874584-18-6
MF:C16H15ClO2
MW:274.742103815079
CID:656156
PubChem ID:11601519
Update Time:2025-04-19
1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl-
- 3-chloro-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione
- DTXSID90469288
- 874584-18-6
- CHEMBL2419174
-
- Inchi： 1S/C16H15ClO2/c1-16(2)5-3-4-9-6-11-10(7-12(9)16)14(18)8-13(17)15(11)19/h6-8H,3-5H2,1-2H3
- InChI Key： MDVKOBITBFHNEQ-UHFFFAOYSA-N
- SMILES： ClC1=CC(C2C(C1=O)=CC1CCCC(C)(C)C=1C=2)=O
Computed Properties
- Exact Mass: 274.0760574g/mol
- Monoisotopic Mass: 274.0760574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 463
- 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: 4.5
- Topological Polar Surface Area: 34.1?2
1,4-Anthracenedione, 2-chloro-5,6,7,8-tetrahydro-5,5-dimethyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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