Cas no 29173-60-2 (Benzene, pentachloroisocyanato-)
29173-60-2 structure
Product Name:Benzene, pentachloroisocyanato-
CAS No:29173-60-2
MF:C7Cl5NO
MW:291.345996856689
CID:238103
PubChem ID:13374300
Update Time:2025-04-19
Benzene, pentachloroisocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, pentachloroisocyanato-
- 1,2,3,4,5-pentachloro-6-isocyanatobenzene
- pentachlorophenyl isocyanate
- DTXSID70538623
- 29173-60-2
- SCHEMBL10744608
-
- Inchi： 1S/C7Cl5NO/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
- InChI Key： XYUCULXRVSQDCG-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C(=C(C=1N=C=O)Cl)Cl)Cl)Cl
Computed Properties
- Exact Mass: 288.8425
- Monoisotopic Mass: 288.842252g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 5.9
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Benzene, pentachloroisocyanato- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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