Cas no 56961-92-3 (1,4-Naphthalenedione, 6-chloro-)
56961-92-3 structure
Product Name:1,4-Naphthalenedione, 6-chloro-
CAS No:56961-92-3
MF:C10H5ClO2
MW:192.5985019207
CID:347229
PubChem ID:12634002
Update Time:2025-04-19
1,4-Naphthalenedione, 6-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 6-chloro-
- 6-chloronaphthalene-1,4-dione
- DTXSID30505119
- SCHEMBL8773134
- 56961-92-3
- AKOS006373107
-
- Inchi: 1S/C10H5ClO2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H
- InChI Key: IUSVMAFWJQCDHC-UHFFFAOYSA-N
- SMILES: ClC1=CC=C2C(C=CC(C2=C1)=O)=O
Computed Properties
- Exact Mass: 191.99785
- Monoisotopic Mass: 191.9978071g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 283
- 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: 2.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 6-chloro- Related Literature
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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