Cas no 5471-78-3 ( )
structure
Product Name:
CAS No:5471-78-3
MF:C8H6INO4
MW:307.042014598846
CID:942685
PubChem ID:231755
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 2-iodo-6-nitro-benzoic acid methyl ester; CTK3I0599; Pyridine, 2-iodo-6-methyl-, 1-oxide; methyl 2-iodo-6-nitrobenzoate; 2-iodo-6-methyl-pyridine N-oxide; 2-Jod-6-nitro-benzoesaeure-methylester; ACMC-20lusa; 2-Iodo-6-methylpyridine N-oxide;
- 2-iodo-6-nitrobenzoic acid methylester
- NSC-28453
- DTXSID30970025
- 5471-78-3
- 2-iodo-6-nitro-benzoic acid methyl ester
- MQGSUXFZAANPQE-UHFFFAOYSA-N
- NSC28453
- SCHEMBL16749890
- methyl 2-iodo-6-nitrobenzoate
-
-
- Inchi： 1S/C8H6INO4/c1-14-8(11)7-5(9)3-2-4-6(7)10(12)13/h2-4H,1H3
- InChI Key： MQGSUXFZAANPQE-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1C(=O)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 306.93368
- Monoisotopic Mass: 306.93416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 240
- 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: 1.4
- Topological Polar Surface Area: 72.1?2
Experimental Properties
- PSA: 69.44
- LogP: 2.50920
Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013033691-250mg |
Methyl 2-iodo-6-nitrobenzoate |
5471-78-3 | 97% | 250mg |
$489.60 | 2023-09-01 | |
| Alichem | A013033691-500mg |
Methyl 2-iodo-6-nitrobenzoate |
5471-78-3 | 97% | 500mg |
$863.90 | 2023-09-01 | |
| Alichem | A013033691-1g |
Methyl 2-iodo-6-nitrobenzoate |
5471-78-3 | 97% | 1g |
$1519.80 | 2023-09-01 |
Related Literature
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
-
Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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