(4-Bromo-1,2-phenylene)dimethanol - CAS 171011-37-3
Catalog: |
BB012697 |
Product Name: |
(4-Bromo-1,2-phenylene)dimethanol |
CAS: |
171011-37-3 |
Synonyms: |
[4-bromo-2-(hydroxymethyl)phenyl]methanol; [4-bromo-2-(hydroxymethyl)phenyl]methanol |
IUPAC Name: | [4-bromo-2-(hydroxymethyl)phenyl]methanol |
Description: | (4-Bromo-1,2-phenylene)dimethanol (CAS# 171011-37-3) is a useful research chemical. |
Molecular Weight: | 217.06 |
Molecular Formula: | C8H9BrO2 |
Canonical SMILES: | C1=CC(=C(C=C1Br)CO)CO |
InChI: | InChI=1S/C8H9BrO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5H2 |
InChI Key: | GFQKHXCSNFITHX-UHFFFAOYSA-N |
LogP: | 1.43370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111039981-A | Compound, salt or solvate thereof and application thereof | 20191226 |
WO-2020216240-A1 | Dicyclic alkane compound useful as inhibitor of plasma kallikrein | 20190422 |
US-2021024605-A1 | Cyclic peptide analogs of melanocortin and amanitin and methods of making such | 20190301 |
CN-107753468-B | Bis- (the bromo- 4,5- dihydroxy of 2,3,6- tri-) ethers are preparing the application in aldose reductase inhibitor product | 20171018 |
AU-2017300123-A1 | Isoquinoline derivatives as PERK inhibitors | 20160720 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.97859 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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