2-Iodo-3-nitrobenzoic acid - CAS 5398-69-6
Catalog: |
BB028438 |
Product Name: |
2-Iodo-3-nitrobenzoic acid |
CAS: |
5398-69-6 |
Synonyms: |
2-iodo-3-nitrobenzoic acid |
IUPAC Name: | 2-iodo-3-nitrobenzoic acid |
Description: | 2-Iodo-3-nitrobenzoic acid (CAS# 5398-69-6) is a useful research chemical. |
Molecular Weight: | 293.02 |
Molecular Formula: | C7H4INO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)[N+](=O)[O-])I)C(=O)O |
InChI: | InChI=1S/C7H4INO4/c8-6-4(7(10)11)2-1-3-5(6)9(12)13/h1-3H,(H,10,11) |
InChI Key: | XWOGTRRVKVPJSP-UHFFFAOYSA-N |
Boiling Point: | 385.6 °C at 760 mmHg |
Purity: | 95 % |
Density: | 2.156 g/cm3 |
Appearance: | Yellow powder |
MDL: | MFCD00277941 |
LogP: | 2.42080 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110312717-A | The condensed heteroaryl tricyclic compound replaced is as kinase inhibitor and its application | 20170227 |
US-2017351177-A1 | Resist composition and patterning process | 20160607 |
CN-107176945-A | A kind of retinoid compound, its preparation method, intermediate and application | 20160311 |
CN-106631726-A | Synthetic method for optically pure double-helix oligomeric tetra-benzocyclooctene substances | 20151104 |
CN-108347943-A | Hepatitis B core protein conditioning agent | 20150915 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 292.91851 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 292.91851 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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