Cas no 29956-85-2 (Benzamide,2,3,4,5,6-pentachloro-)
29956-85-2 structure
Product Name:Benzamide,2,3,4,5,6-pentachloro-
CAS No:29956-85-2
MF:C7H2Cl5NO
MW:293.361876964569
CID:278688
Update Time:2024-01-27
Benzamide,2,3,4,5,6-pentachloro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide,2,3,4,5,6-pentachloro-
- Mihozin
- Pentachlorobenzamide
- Pentachlorobenzoylamide
- Benzamide, 2,3,4,5,6-pentachloro-
-
- Inchi： 1S/C7H2Cl5NO/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H2,13,14)
- InChI Key： WHKQPTLEJWMAQS-UHFFFAOYSA-N
- SMILES： C(N)(=O)C1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl
Computed Properties
- Exact Mass: 290.85816
- Monoisotopic Mass: 290.858
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 222
- 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
Experimental Properties
- Density: 1.747±0.06 g/cm3(Predicted)
- Boiling Point: 268.6±40.0 °C(Predicted)
- PSA: 43.09
- pka: 13.25±0.50(Predicted)
Benzamide,2,3,4,5,6-pentachloro- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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