Methyl 4-nitrobenzoate - CAS 619-50-1
Catalog: |
BB031348 |
Product Name: |
Methyl 4-nitrobenzoate |
CAS: |
619-50-1 |
Synonyms: |
methyl 4-nitrobenzoate |
IUPAC Name: | methyl 4-nitrobenzoate |
Description: | Methyl 4-nitrobenzoate (CAS# 619-50-1) is a useful research chemical. |
Molecular Weight: | 181.15 |
Molecular Formula: | C8H7NO4 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C8H7NO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5H,1H3 |
InChI Key: | YOJAHJGBFDPSDI-UHFFFAOYSA-N |
Boiling Point: | 369.3 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.301 g/cm3 |
MDL: | MFCD00007350 |
LogP: | 1.90460 |
Publication Number | Title | Priority Date |
CN-113248373-A | Preparation method of methyl benzoate compound | 20210531 |
JP-2021146505-A | Thermal recording body | 20200316 |
JP-2021138083-A | Thermal recording body | 20200306 |
JP-2021137996-A | Thermal recording body | 20200303 |
JP-2021137977-A | Thermal recording body | 20200302 |
PMID | Publication Date | Title | Journal |
22058830 | 20111001 | Isopropyl 4-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
21588922 | 20101002 | 2-Chloro-ethyl 4-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
21578824 | 20091114 | Methyl 4-nitro-benzoate | Acta crystallographica. Section E, Structure reports online |
21583579 | 20090718 | 3,4-Diamino-pyridinium 4-nitro-benzoate-4-nitro-benzoic acid (1/1) | Acta crystallographica. Section E, Structure reports online |
17284804 | 20070201 | Isomorphous brucinium 4-nitrobenzoate methanol solvate and brucinium 4-nitrobenzoate dihydrate | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.0375077 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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