Cas no 24646-28-4 (Benzeneacetic acid, 3-chloro-alpha-methyl-4-nitro-, methyl ester)
24646-28-4 structure
Product Name:Benzeneacetic acid, 3-chloro-alpha-methyl-4-nitro-, methyl ester
CAS No:24646-28-4
MF:C10H10ClNO4
MW:243.643702030182
CID:2933475
Update Time:2023-08-10
Benzeneacetic acid, 3-chloro-alpha-methyl-4-nitro-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzeneacetic acid, 3-chloro-alpha-methyl-4-nitro-, methyl ester
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- Inchi： 1S/C10H10ClNO4/c1-6(10(13)16-2)7-3-4-9(12(14)15)8(11)5-7/h3-6H,1-2H3
- InChI Key： QBCNKHMDILCCET-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)C(C(=O)OC)C)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 279
- XLogP3: 2.7
- Topological Polar Surface Area: 72.1
Benzeneacetic acid, 3-chloro-alpha-methyl-4-nitro-, methyl ester Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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