2-Methoxy-5-nitrobenzoic Acid - CAS 40751-89-1
Catalog: |
BB024650 |
Product Name: |
2-Methoxy-5-nitrobenzoic Acid |
CAS: |
40751-89-1 |
Synonyms: |
2-methoxy-5-nitrobenzoic acid; 2-methoxy-5-nitrobenzoic acid |
IUPAC Name: | 2-methoxy-5-nitrobenzoic acid |
Description: | 2-Methoxy-5-nitrobenzoic Acid (CAS# 40751-89-1) is a useful research chemical. |
Molecular Weight: | 197.14 |
Molecular Formula: | C8H7NO5 |
Canonical SMILES: | COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C8H7NO5/c1-14-7-3-2-5(9(12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | CVZUPRDSNNBZLH-UHFFFAOYSA-N |
Boiling Point: | 384.5 °C at 760 mmHg |
Density: | 1.43 g/cm3 |
Appearance: | Beige to light brown powder |
MDL: | MFCD00527902 |
LogP: | 1.82480 |
Publication Number | Title | Priority Date |
CN-112876482-A | Polysubstituted heterocyclic derivative, preparation method and medical application thereof | 20201231 |
EP-3717477-A1 | New heterocyclic compounds | 20171128 |
AU-2018309245-A1 | Substituted penta- and hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof | 20170804 |
CA-3071900-A1 | Substituted penta- fused hexa-heterocyclic compounds, preparation method therefor, drug combination and use thereof | 20170804 |
CN-110997669-A | Substituted five-membered and six-membered heterocyclic compound, preparation method thereof, pharmaceutical composition and application thereof | 20170804 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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