Cas no 384-77-0 ( )
structure
Product Name:
CAS No:384-77-0
MF:C7H2F3N3O7
MW:297.101891994476
CID:923543
PubChem ID:352752
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2,4,6-trinitro-3-(trifluoromethyl)phenol
- 2,4,6-Trinitro-3-trifluormethyl-phenol
- 2,4,6-trinitro-3-trifluoromethyl-phenol
- 3-Hydroxy-2,4,6-trinitro-benzotrifluorid
- AC1L70ZX
- NSC527780
- 384-77-0
- CHEMBL2137549
- KFQBCDZWGSUGLD-UHFFFAOYSA-N
- DTXSID70326421
- MLS003373857
- SMR002048649
- NSC-527780
-
-
- Inchi： 1S/C7H2F3N3O7/c8-7(9,10)4-2(11(15)16)1-3(12(17)18)6(14)5(4)13(19)20/h1,14H
- InChI Key： KFQBCDZWGSUGLD-UHFFFAOYSA-N
- SMILES： FC(C1C(=CC(=C(C=1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 296.98446
- Monoisotopic Mass: 296.98448390g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 425
- 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: 2.5
- Topological Polar Surface Area: 158?2
Experimental Properties
- PSA: 149.65
- LogP: 3.70520
Related Literature
-
Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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