4-Methyl-3-nitroanisole - CAS 17484-36-5
Catalog: |
BB013047 |
Product Name: |
4-Methyl-3-nitroanisole |
CAS: |
17484-36-5 |
Synonyms: |
4-methoxy-1-methyl-2-nitrobenzene |
IUPAC Name: | 4-methoxy-1-methyl-2-nitrobenzene |
Description: | 4-Methyl-3-nitroanisole (CAS# 17484-36-5) is a compound useful in organic synthesis. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | CC1=C(C=C(C=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C8H9NO3/c1-6-3-4-7(12-2)5-8(6)9(10)11/h3-5H,1-2H3 |
InChI Key: | JBORNNNGTJSTLC-UHFFFAOYSA-N |
Boiling Point: | 266-267 °C |
Density: | 1.207 g/cm3 |
MDL: | MFCD00007173 |
LogP: | 2.43500 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111333550-A | Preparation method of azoxybenzene derivative | 20200320 |
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PMID | Publication Date | Title | Journal |
16575459 | 20060414 | Synthesis, stability and optimized photolytic cleavage of 4-methoxy-2-nitrobenzyl backbone-protected peptides | Chemical communications (Cambridge, England) |
15167519 | 20040601 | Synthesis and evaluation of 5,7-dihydro-3-[2-[1-(4-[18F]-fluorobenzyl)-4-piperidinyl]ethyl]-6H-pyrrolo[3,2-f]-1,2-benzisoxazol-6-one for in vivo mapping of acetylcholinesterase | Nuclear medicine communications |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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