Cas no 848731-65-7 (1-Methyl-4-[(2S)-1-nitropropan-2-yl]benzene)
848731-65-7 structure
Product Name:1-Methyl-4-[(2S)-1-nitropropan-2-yl]benzene
CAS No:848731-65-7
MF:C10H13NO2
MW:179.215722799301
CID:2851804
PubChem ID:16755925
Update Time:2025-04-21
1-Methyl-4-[(2S)-1-nitropropan-2-yl]benzene Chemical and Physical Properties
Names and Identifiers
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- 848731-65-7
- 1-Methyl-4-[(2S)-1-nitropropan-2-yl]benzene
- DTXSID50587856
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- Inchi: 1S/C10H13NO2/c1-8-3-5-10(6-4-8)9(2)7-11(12)13/h3-6,9H,7H2,1-2H3/t9-/m1/s1
- InChI Key: LRPZNDFDHREQEK-SECBINFHSA-N
- SMILES: [O-][N+](C[C@@H](C)C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 179.094628657Da
- Monoisotopic Mass: 179.094628657Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 45.8?2
1-Methyl-4-[(2S)-1-nitropropan-2-yl]benzene Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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