(4-Chloro-1,2-phenylene)dimethanol - CAS 110706-49-5
Catalog: |
BB002661 |
Product Name: |
(4-Chloro-1,2-phenylene)dimethanol |
CAS: |
110706-49-5 |
Synonyms: |
[4-chloro-2-(hydroxymethyl)phenyl]methanol; [4-chloro-2-(hydroxymethyl)phenyl]methanol |
IUPAC Name: | [4-chloro-2-(hydroxymethyl)phenyl]methanol |
Description: | (4-Chloro-1,2-phenylene)dimethanol (CAS# 110706-49-5) is a useful research chemical. |
Molecular Weight: | 172.61 |
Molecular Formula: | C8H9ClO2 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CO)CO |
InChI: | InChI=1S/C8H9ClO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3,10-11H,4-5H2 |
InChI Key: | ARSFSTVKMONOTE-UHFFFAOYSA-N |
LogP: | 1.32460 |
Publication Number | Title | Priority Date |
WO-2019078246-A1 | IDO / TDO INHIBITOR | 20171019 |
US-2020239452-A1 | IDO/TDO Inhibitor | 20171019 |
US-2021017190-A1 | Thienodiazepine derivatives and application thereof | 20170922 |
AU-2015217221-A1 | Prodrug compounds and their uses | 20140213 |
CN-106061984-A | Prodrug compounds and their uses | 20140213 |
Complexity: | 119 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0291072 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0291072 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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