Cas no 13790-14-2 (Benzene,1,3-dichloro-4-methyl-2-nitro-)
13790-14-2 structure
Product Name:Benzene,1,3-dichloro-4-methyl-2-nitro-
CAS No:13790-14-2
MF:C7H5Cl2NO2
MW:206.026099920273
CID:214038
PubChem ID:83736
Update Time:2025-04-19
Benzene,1,3-dichloro-4-methyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-dichloro-4-methyl-2-nitro-
- 2,4-dichloro-3-nitrotoluene
- 1,3-dichloro-4-methyl-2-nitrobenzene
- Einecs 237-448-3
- SCHEMBL3864389
- NS00024470
- DTXSID70160387
- 13790-14-2
-
- Inchi： 1S/C7H5Cl2NO2/c1-4-2-3-5(8)7(6(4)9)10(11)12/h2-3H,1H3
- InChI Key： JPGMJOAPBGZPKD-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1C)Cl)[N+](=O)[O-]
Computed Properties
- Exact Mass: 204.96985
- Monoisotopic Mass: 204.9697338g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 183
- 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: 3.4
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
Benzene,1,3-dichloro-4-methyl-2-nitro- Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Alena Koukalová,?árka Pokorná,Aimee L. Boyle,Nestor Lopez Mora,Alexander Kros,Martin Hof,Radek ?achl Nanoscale, 2018,10, 19064-19073
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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