Cas no 89444-76-8 (Phenol, 2,4,6-tribromo-3-methyl-5-nitro-)
89444-76-8 structure
Product Name:Phenol, 2,4,6-tribromo-3-methyl-5-nitro-
CAS No:89444-76-8
MF:C7H4Br3NO3
MW:389.823559761047
CID:600398
PubChem ID:71324288
Update Time:2025-04-19
Phenol, 2,4,6-tribromo-3-methyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
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- Phenol, 2,4,6-tribromo-3-methyl-5-nitro-
- 2,4,6-tribromo-3-methyl-5-nitrophenol
- 89444-76-8
- DTXSID10753777
- 1-Methyl-2,4,6-Tribrom-3-Oxy-5-Nitrobenzol
-
- Inchi： 1S/C7H4Br3NO3/c1-2-3(8)6(11(13)14)5(10)7(12)4(2)9/h12H,1H3
- InChI Key： MBXRBAHOLDNSIJ-UHFFFAOYSA-N
- SMILES： BrC1C(=C(C(=C(C=1C)Br)O)Br)[N+](=O)[O-]
Computed Properties
- Exact Mass: 388.77208g/mol
- Monoisotopic Mass: 386.77413g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 235
- 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: 3.8
- Topological Polar Surface Area: 66?2
Phenol, 2,4,6-tribromo-3-methyl-5-nitro- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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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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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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N. Soin,D. Boyer,K. Prashanthi,S. Sharma,A. A. Narasimulu,J. Luo,T. H. Shah,E. Siores,T. Thundat Chem. Commun., 2015,51, 8257-8260
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