3-Bromo-2-methylanisole - CAS 31804-36-1
Catalog: |
BB021067 |
Product Name: |
3-Bromo-2-methylanisole |
CAS: |
31804-36-1 |
Synonyms: |
1-bromo-3-methoxy-2-methylbenzene; 1-bromo-3-methoxy-2-methylbenzene |
IUPAC Name: | 1-bromo-3-methoxy-2-methylbenzene |
Description: | 3-Bromo-2-methylanisole (CAS# 31804-36-1) is a useful research chemical. |
Molecular Weight: | 201.06 |
Molecular Formula: | C8H9BrO |
Canonical SMILES: | CC1=C(C=CC=C1Br)OC |
InChI: | InChI=1S/C8H9BrO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3 |
InChI Key: | SBMVNLFBEJAXFY-UHFFFAOYSA-N |
Boiling Point: | 217 °C at 760 mmHg |
Density: | 1.378 g/cm3 |
MDL: | MFCD11100991 |
LogP: | 2.76610 |
Publication Number | Title | Priority Date |
WO-2021043322-A1 | Azepino pyrimidine derivatives and medical use thereof | 20190906 |
CN-111138412-A | Spiro aromatic ring compound and application thereof | 20181106 |
WO-2020094018-A1 | Spiro aromatic ring compound and application thereof | 20181106 |
CN-111566104-A | Spiro aromatic ring compound and application thereof | 20181106 |
CN-111592525-A | Spiro aromatic ring compound and application thereof | 20181106 |
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: | 3.6 |
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