Cas no 288615-45-2 (2-Amino-5-nitro-4-trifluoromethyl-benzoic acid)
288615-45-2 structure
Product Name:2-Amino-5-nitro-4-trifluoromethyl-benzoic acid
CAS No:288615-45-2
MF:C8H5F3N2O4
MW:250.131512403488
CID:2121798
Update Time:2023-08-04
2-Amino-5-nitro-4-trifluoromethyl-benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 2-amino-5-nitro-4-trifluoromethyl-benzoic acid
- XRHDEVLXABTEPG-UHFFFAOYSA-N
- 2-Amino-5-nitro-4-trifluoromethyl-benzoic acid
-
- Inchi： 1S/C8H5F3N2O4/c9-8(10,11)4-2-5(12)3(7(14)15)1-6(4)13(16)17/h1-2H,12H2,(H,14,15)
- InChI Key： XRHDEVLXABTEPG-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C(C(=O)O)=CC=1[N+](=O)[O-])N)(F)F
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 328
- Topological Polar Surface Area: 109
2-Amino-5-nitro-4-trifluoromethyl-benzoic acid Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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