Cas no 78846-76-1 (Benzenesulfonic acid, 2-chloro-4-nitro-)
78846-76-1 structure
Product Name:Benzenesulfonic acid, 2-chloro-4-nitro-
CAS No:78846-76-1
MF:C6H4ClNO5S
MW:237.617659568787
CID:533765
PubChem ID:19745031
Update Time:2025-04-19
Benzenesulfonic acid, 2-chloro-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid, 2-chloro-4-nitro-
- 2-chloro-4-nitrobenzenesulfonic acid
- DTXSID90599498
- SCHEMBL5082000
- 2-Chloro-4-nitrobenzene-1-sulfonic acid
- 78846-76-1
-
- Inchi： 1S/C6H4ClNO5S/c7-5-3-4(8(9)10)1-2-6(5)14(11,12)13/h1-3H,(H,11,12,13)
- InChI Key： KIXANWDXDRBCLI-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1S(=O)(=O)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 236.9498711g/mol
- Monoisotopic Mass: 236.9498711g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 318
- 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: 1.1
- Topological Polar Surface Area: 109?2
Benzenesulfonic acid, 2-chloro-4-nitro- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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