4-(Ethylcarbamoyl)phenylboronic Acid - CAS 850568-12-6
Catalog: |
BB037435 |
Product Name: |
4-(Ethylcarbamoyl)phenylboronic Acid |
CAS: |
850568-12-6 |
Synonyms: |
[4-(ethylcarbamoyl)phenyl]boronic acid; [4-(ethylcarbamoyl)phenyl]boronic acid |
IUPAC Name: | [4-(ethylcarbamoyl)phenyl]boronic acid |
Description: | 4-(Ethylcarbamoyl)phenylboronic Acid (CAS# 850568-12-6) is a useful research chemical. |
Molecular Weight: | 193.01 |
Molecular Formula: | C9H12NO3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)NCC)(O)O |
InChI: | InChI=1S/C9H12BNO3/c1-2-11-9(12)7-3-5-8(6-4-7)10(13)14/h3-6,13-14H,2H2,1H3,(H,11,12) |
InChI Key: | DONAYSCOAAAZKS-UHFFFAOYSA-N |
Density: | 1.19 g/cm3 |
LogP: | -0.49300 |
Publication Number | Title | Priority Date |
WO-2019138107-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 20180115 |
EP-3740493-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
JP-2021510706-A | Indoleamine 2,3-dioxygenase and / or tryptophan 2,3-dioxygenase inhibitor | 20180115 |
Complexity: | 191 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.0910234 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.0910234 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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