3-Methoxy-2-nitrobenzoic acid - CAS 4920-80-3
Catalog: |
BB026658 |
Product Name: |
3-Methoxy-2-nitrobenzoic acid |
CAS: |
4920-80-3 |
Synonyms: |
3-methoxy-2-nitrobenzoic acid |
IUPAC Name: | 3-methoxy-2-nitrobenzoic acid |
Description: | 3-Methoxy-2-nitrobenzoic acid (CAS# 4920-80-3) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC1=CC=CC(=C1[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11) |
InChI Key: | YMOMYSDAOXOCID-UHFFFAOYSA-N |
Boiling Point: | 388.2 °C at 760 mmHg |
Melting Point: | 253-258 °C |
Purity: | 95 % |
Density: | 1.43 g/cm3 |
Appearance: | White to light beige powder |
MDL: | MFCD00007143 |
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 |
JP-2021073185-A | Its use in novel conjugates and specific conjugation of biomolecules with drugs | 20201224 |
WO-2021195781-A1 | Compounds, pharmaceutical compositions, and methods of preparing compounds and of their use | 20200401 |
WO-2021195782-A1 | Methods of using myt1 inhibitors | 20200401 |
CN-111138398-A | Synthesis process of 2- (2-amino-3-methoxyphenyl) chromone | 20191231 |
CN-112341416-A | Method for preparing benzo oxygen-containing aliphatic heterocyclic derivative | 20190809 |
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: | 1.6 |
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