2,4-Dimethyl-5-nitrobenzoic Acid - CAS 220504-75-6
Catalog: |
BB017322 |
Product Name: |
2,4-Dimethyl-5-nitrobenzoic Acid |
CAS: |
220504-75-6 |
Synonyms: |
2,4-dimethyl-5-nitrobenzoic acid; 2,4-dimethyl-5-nitrobenzoic acid |
IUPAC Name: | 2,4-dimethyl-5-nitrobenzoic acid |
Description: | 2,4-Dimethyl-5-nitrobenzoic Acid (CAS# 220504-75-6) is a useful research chemical. |
Molecular Weight: | 195.17 |
Molecular Formula: | C9H9NO4 |
Canonical SMILES: | CC1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])C |
InChI: | InChI=1S/C9H9NO4/c1-5-3-6(2)8(10(13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12) |
InChI Key: | OVWSQNZKIRGLMK-UHFFFAOYSA-N |
Boiling Point: | 371.4 °C at 760 mmHg |
Density: | 1.333 g/cm3 |
LogP: | 2.43300 |
Publication Number | Title | Priority Date |
CN-111170868-A | Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid | 20200109 |
EP-3538091-A1 | PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF | 20161108 |
US-10414727-B2 | Phenyl amino piperidine mTORC inhibitors and uses thereof | 20161108 |
US-2018127370-A1 | PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF | 20161108 |
US-2020207716-A1 | PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF | 20161108 |
Complexity: | 248 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.05315777 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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