Methyl 4-Nitrophenylacetate - CAS 2945-08-6
Catalog: |
BB020208 |
Product Name: |
Methyl 4-Nitrophenylacetate |
CAS: |
2945-08-6 |
Synonyms: |
2-(4-nitrophenyl)acetic acid methyl ester; methyl 2-(4-nitrophenyl)acetate |
IUPAC Name: | methyl 2-(4-nitrophenyl)acetate |
Description: | Methyl 4-Nitrophenylacetate (CAS# 2945-08-6 ) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | COC(=O)CC1=CC=C(C=C1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9NO4/c1-14-9(11)6-7-2-4-8(5-3-7)10(12)13/h2-5H,6H2,1H3 |
InChI Key: | PQRGTRBYCFLHKY-UHFFFAOYSA-N |
Boiling Point: | 308.6 °C at 760 mmHg |
Density: | 1.266 g/cm3 |
LogP: | 1.83350 |
Publication Number | Title | Priority Date |
WO-2021159015-A1 | Nampt modulators | 20200207 |
KR-20210081286-A | Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2 | 20191223 |
WO-2021133035-A1 | Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof | 20191223 |
WO-2021110142-A1 | Substituted imidazolecarboxamide as bruton's tyrosine kinase inhibitors | 20191204 |
RU-2686489-C1 | Method of producing α-diazocarbonyl compounds in aqueous medium | 20181227 |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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