Cas no 57411-95-7 (2-(2,5-dimethyl-3-nitrophenyl)acetonitrile)
57411-95-7 structure
Product Name:2-(2,5-dimethyl-3-nitrophenyl)acetonitrile
CAS No:57411-95-7
MF:C10H10N2O2
MW:190.198602199554
CID:1603967
PubChem ID:258588
Update Time:2025-04-21
2-(2,5-dimethyl-3-nitrophenyl)acetonitrile Chemical and Physical Properties
Names and Identifiers
-
- 2-(2,5-dimethyl-3-nitrophenyl)acetonitrile
- AR-1A1963
- AC1L5Z9P
- AC1Q1YNJ
- CTK5A6825
- KST-1A7004
- (2,5-dimethyl-3-nitrophenyl)acetonitrile
- NSC87679
- AG-J-00855
- 3-Cyanomethyl-2,5-dimethylnitrobenzol
- AR-1A1963; AC1L5Z9P; AC1Q1YNJ; CTK5A6825; KST-1A7004; (2,5-dimethyl-3-nitrophenyl)acetonitrile; NSC87679; AG-J-00855; 3-Cyanomethyl-2,5-dimethylnitrobenzol;
- 57411-95-7
- NSC-87679
- DTXSID30293185
-
- Inchi： 1S/C10H10N2O2/c1-7-5-9(3-4-11)8(2)10(6-7)12(13)14/h5-6H,3H2,1-2H3
- InChI Key： ONEKRZQNJHXOGV-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(C)=CC(CC#N)=C1C)=O
Computed Properties
- Exact Mass: 190.0743
- Monoisotopic Mass: 190.074227566g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 263
- 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: 2.1
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 66.93
2-(2,5-dimethyl-3-nitrophenyl)acetonitrile Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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