Cas no 96-92-4 (Benzenesulfonic acid,4-chloro-3-methyl-5-nitro-)
96-92-4 structure
Product Name:Benzenesulfonic acid,4-chloro-3-methyl-5-nitro-
Benzenesulfonic acid,4-chloro-3-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenesulfonic acid,4-chloro-3-methyl-5-nitro-
- 6-chloro-5-nitrotoluene-3-sulphonic acid
- Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-
- DTXSID10242075
- EINECS 202-545-1
- 6-CHLORO-5-NITROTOLUENE-3-SULFONIC ACID
- 96-92-4
- 4-chloro-3-methyl-5-nitrobenzenesulfonic acid
- SCHEMBL4479896
- NCIOpen2_002276
- G69C32YP54
- NS00040504
-
- Inchi: 1S/C7H6ClNO5S/c1-4-2-5(15(12,13)14)3-6(7(4)8)9(10)11/h2-3H,1H3,(H,12,13,14)
- InChI Key: OJTXHPQIEJMIJY-UHFFFAOYSA-N
- SMILES: ClC1C(=CC(=CC=1C)S(=O)(=O)O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 250.9655212g/mol
- Monoisotopic Mass: 250.9655212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 345
- 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: 1.5
- Topological Polar Surface Area: 109?2
Benzenesulfonic acid,4-chloro-3-methyl-5-nitro- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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