Cas no 115546-81-1 (2-chloro-5-nitro-benzenesulfinyl chloride)
115546-81-1 structure
Product Name:2-chloro-5-nitro-benzenesulfinyl chloride
CAS No:115546-81-1
MF:C6H3Cl2NO3S
MW:240.063918352127
CID:1205436
PubChem ID:54550092
Update Time:2025-04-20
2-chloro-5-nitro-benzenesulfinyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-chloro-5-nitro-benzenesulfinyl chloride
- 2-Chloro-5-nitrobenzenesulfinyl chloride
- benzenesulfinyl chloride, 2-chloro-5-nitro-
- LogP
- 115546-81-1
- SCHEMBL10507366
- DTXSID101273623
-
- Inchi: 1S/C6H3Cl2NO3S/c7-5-2-1-4(9(10)11)3-6(5)13(8)12/h1-3H
- InChI Key: ZJHJYGYMSBYZIK-UHFFFAOYSA-N
- SMILES: ClC1=CC=C(C=C1S(=O)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 238.92119
- Monoisotopic Mass: 238.9210695g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 232
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 82.1?2
Experimental Properties
- PSA: 60.21
2-chloro-5-nitro-benzenesulfinyl chloride Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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