2-Iodo-4-nitrobenzoic Acid - CAS 89459-38-1
Catalog: |
BB039484 |
Product Name: |
2-Iodo-4-nitrobenzoic Acid |
CAS: |
89459-38-1 |
Synonyms: |
2-iodo-4-nitrobenzoic acid; 2-iodo-4-nitrobenzoic acid |
IUPAC Name: | 2-iodo-4-nitrobenzoic acid |
Description: | 2-Iodo-4-nitrobenzoic Acid (CAS# 89459-38-1) 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/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11) |
InChI Key: | SQICTGFCQITYDT-UHFFFAOYSA-N |
LogP: | 2.42080 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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