2-Methoxy-4-nitrobenzoic acid - CAS 2597-56-0
Catalog: |
BB019086 |
Product Name: |
2-Methoxy-4-nitrobenzoic acid |
CAS: |
2597-56-0 |
Synonyms: |
2-methoxy-4-nitrobenzoic acid |
IUPAC Name: | 2-methoxy-4-nitrobenzoic acid |
Description: | 2-Methoxy-4-nitrobenzoic acid (CAS# 2597-56-0) is a compound useful in organic synthesis. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H7NO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | KPJXEWJRJKEOCD-UHFFFAOYSA-N |
Boiling Point: | 390.9 °C at 760 mmHg |
Melting Point: | 146-148 °C |
Purity: | 98 % |
Density: | 1.43 g/cm3 |
Appearance: | White to off-white crystalline solid |
MDL: | MFCD00216573 |
LogP: | 1.82480 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
WO-2021136390-A1 | Blood coagulation factor xia inhibitor | 20191231 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
EP-3549927-A1 | A process for the synthesis of carbon labeled organic compounds | 20180406 |
WO-2019193068-A1 | A process for the synthesis of carbon labeled organic compounds | 20180406 |
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: | 1.4 |
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