5-Methoxy-2-nitrobenzoic acid - CAS 1882-69-5
Catalog: |
BB014501 |
Product Name: |
5-Methoxy-2-nitrobenzoic acid |
CAS: |
1882-69-5 |
Synonyms: |
Benzoic acid, 5-methoxy-2-nitro-; m-Anisic acid, 6-nitro-; 2-Nitro-5-methoxybenzoic acid; 5-(Methyloxy)-2-nitrobenzoic acid; NSC 364656 |
IUPAC Name: | 5-methoxy-2-nitrobenzoic acid |
Description: | 5-Methoxy-2-nitrobenzoic acid (CAS# 1882-69-5) is used in the synthesis of Cathepsin S inhibitors with antitumor applications. In addition, 2-aminocombretastatin derivatives with potential as antimitotic agents are synthesized using this compound. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H7NO5/c1-14-5-2-3-7(9(12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | URADKXVAIGMTEG-UHFFFAOYSA-N |
Boiling Point: | 399.7±27.0°C at 760 mmHg |
Melting Point: | 132°C |
Purity: | 95% |
Density: | 1.430±0.06 g/cm3 |
Solubility: | Soluble in Methanol |
Appearance: | Beige to Gray or Brown Granules |
Storage: | Store at RT |
MDL: | MFCD00151836 |
LogP: | 1.82480 |
GHS Hazard Statement: | H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.03242232 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.03242232 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 92.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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