3-Methyl-2-nitrophenol - CAS 4920-77-8
Catalog: |
BB026656 |
Product Name: |
3-Methyl-2-nitrophenol |
CAS: |
4920-77-8 |
Synonyms: |
3-methyl-2-nitrophenol |
IUPAC Name: | 3-methyl-2-nitrophenol |
Description: | A nitrophenol derivative as antitumor agent. |
Molecular Weight: | 153.14 |
Molecular Formula: | C7H7NO3 |
Canonical SMILES: | CC1=C(C(=CC=C1)O)[N+](=O)[O-] |
InChI: | InChI=1S/C7H7NO3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3 |
InChI Key: | QIORDSKCCHRSSD-UHFFFAOYSA-N |
Boiling Point: | 106-108 °C (10 mmHg) |
Purity: | 98 % |
Density: | 1.32 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD00007125 |
LogP: | 2.13200 |
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PMID | Publication Date | Title | Journal |
22074882 | 20120201 | Spectroscopic (FT-IR, FT-Raman and UV-vis) investigation and frontier molecular orbitals analysis on 3-methyl-2-nitrophenol using hybrid computational calculations | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
21958133 | 20111110 | Near-ultraviolet absorption cross sections of nitrophenols and their potential influence on tropospheric oxidation capacity | The journal of physical chemistry. A |
18996569 | 20090101 | Pesticide by-products in the Rhône delta (Southern France). The case of 4-chloro-2-methylphenol and of its nitroderivative | Chemosphere |
17960257 | 20071114 | Investigations on the gas-phase photolysis and OH radical kinetics of methyl-2-nitrophenols | Physical chemistry chemical physics : PCCP |
16612896 | 20060301 | Spatial and geographical variations of urban, suburban and rural atmospheric concentrations of phenols and nitrophenols | Environmental science and pollution research international |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.042593085 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 66 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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