4-Bromo-2-[(methylamino)methyl]phenol - CAS 157729-23-2
Catalog: |
BB011351 |
Product Name: |
4-Bromo-2-[(methylamino)methyl]phenol |
CAS: |
157729-23-2 |
Synonyms: |
4-bromo-2-(methylaminomethyl)phenol; 4-bromo-2-(methylaminomethyl)phenol |
IUPAC Name: | 4-bromo-2-(methylaminomethyl)phenol |
Description: | 4-Bromo-2-[(methylamino)methyl]phenol (CAS# 157729-23-2) is a useful research chemical. |
Molecular Weight: | 216.08 |
Molecular Formula: | C8H10BrNO |
Canonical SMILES: | CNCC1=C(C=CC(=C1)Br)O |
InChI: | InChI=1S/C8H10BrNO/c1-10-5-6-4-7(9)2-3-8(6)11/h2-4,10-11H,5H2,1H3 |
InChI Key: | XVEDWUMXQCOGAE-UHFFFAOYSA-N |
LogP: | 2.26500 |
Publication Number | Title | Priority Date |
US-10188627-B2 | PPAR agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20141008 |
US-2017304255-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20141008 |
WO-2016057660-A1 | Ppar agonists, compounds, pharmaceutical compositions, and methods of use thereof | 20141008 |
US-2013266645-A1 | Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action | 20101006 |
US-9382288-B2 | Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action | 20101006 |
Complexity: | 121 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.99458 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.99458 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 32.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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