3-Bromo-4-methylanisole - CAS 36942-56-0
Catalog: |
BB023143 |
Product Name: |
3-Bromo-4-methylanisole |
CAS: |
36942-56-0 |
Synonyms: |
2-bromo-4-methoxy-1-methylbenzene; 2-bromo-4-methoxy-1-methylbenzene |
IUPAC Name: | 2-bromo-4-methoxy-1-methylbenzene |
Description: | 3-Bromo-4-methylanisole (CAS# 36942-56-0) is a useful research chemical. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC1=C(C=C(C=C1)OC)Br |
InChI: | InChI=1S/C8H9BrO/c1-6-3-4-7(10-2)5-8(6)9/h3-5H,1-2H3 |
InChI Key: | MGRYVEDNIGXKQE-UHFFFAOYSA-N |
LogP: | 2.76610 |
Publication Number | Title | Priority Date |
CN-110563571-A | Synthetic method of benzoic acid compound | 20190911 |
EP-3498684-A1 | Enantiopure terphenyls with two ortho-atropisomeric axes | 20171214 |
WO-2019115597-A1 | Enantiopure terphenyls with two ortho-atropisomeric axes | 20171214 |
EP-3498684-B1 | Enantiopure terphenyls with two ortho-atropisomeric axes | 20171214 |
EP-3724154-A1 | Enantiopure terphenyls with two ortho-atropisomeric axes | 20171214 |
Complexity: | 105 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.98368 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.98368 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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