2-Hydroxy-5-methoxy-3-nitrobenzaldehyde - CAS 34549-69-4
Catalog: |
BB022175 |
Product Name: |
2-Hydroxy-5-methoxy-3-nitrobenzaldehyde |
CAS: |
34549-69-4 |
Synonyms: |
2-hydroxy-5-methoxy-3-nitrobenzaldehyde |
IUPAC Name: | 2-hydroxy-5-methoxy-3-nitrobenzaldehyde |
Description: | 2-Hydroxy-5-methoxy-3-nitrobenzaldehyde (CAS# 34549-69-4) is used in preparation of pyrimidine derivatives as VEGF receptor tyrosine kinase inhibitors useful in the treatment of cancer. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC1=CC(=C(C(=C1)C=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO5/c1-14-6-2-5(4-10)8(11)7(3-6)9(12)13/h2-4,11H,1H3 |
InChI Key: | CCHTVTHOPTTYSY-UHFFFAOYSA-N |
Boiling Point: | 303.1 ℃ at 760 mmHg |
Density: | 1.456 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD00016640 |
LogP: | 1.64470 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral]; H317 (97.44%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P316, P302+P352, P321, P330, P333+P313, P362+P364, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2014183300-A1 | Vegfr tyrosine kinase inhibitors | 20130517 |
US-2013217670-A1 | Quinoxaline derivatives | 20101020 |
US-8895559-B2 | Quinoxalines derivatives and pharmaceutical compositions and kits | 20101020 |
EP-1985297-A1 | Carboxylic acid compound and use thereof | 20060127 |
US-2007197512-A1 | Carboxylic Acid Compounds and Use Thereof | 20060127 |
Complexity: | 226 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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