4-(Methylcarbamoyl)benzeneboronic Acid - CAS 121177-82-0
Catalog: |
BB005104 |
Product Name: |
4-(Methylcarbamoyl)benzeneboronic Acid |
CAS: |
121177-82-0 |
Synonyms: |
[4-(methylcarbamoyl)phenyl]boronic acid; [4-(methylcarbamoyl)phenyl]boronic acid |
IUPAC Name: | [4-(methylcarbamoyl)phenyl]boronic acid |
Description: | 4-(Methylcarbamoyl)benzeneboronic Acid (CAS# 121177-82-0) is a useful reagent for developing inhibitors for epoxide hydrolase virulence factor from Pseudomonas aeruginosa and HIV-1 maturation. |
Molecular Weight: | 178.98 |
Molecular Formula: | C8H10NO3B |
Canonical SMILES: | B(C1=CC=C(C=C1)C(=O)NC)(O)O |
InChI: | InChI=1S/C8H10BNO3/c1-10-8(11)6-2-4-7(5-3-6)9(12)13/h2-5,12-13H,1H3,(H,10,11) |
InChI Key: | UWKSYZHFTGONHY-UHFFFAOYSA-N |
Density: | 1.23 g/cm3 |
Appearance: | Off-white solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00097945 |
LogP: | -0.88310 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021123229-A1 | Synthesis of lactone derivatives and their use in the modification of proteins | 20191220 |
CN-111909108-A | Biphenyl compound and preparation method and medical application thereof | 20190902 |
WO-2021043116-A1 | Biphenyl compounds, preparation method therefor and medical use thereof | 20190902 |
WO-2020243376-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20190531 |
US-2020407361-A1 | Tricyclic compounds | 20190530 |
Complexity: | 178 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.0753733 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.0753733 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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