3-(Methylsulfonylamino)phenylboronic Acid - CAS 148355-75-3
Catalog: |
BB010293 |
Product Name: |
3-(Methylsulfonylamino)phenylboronic Acid |
CAS: |
148355-75-3 |
Synonyms: |
[3-(methanesulfonamido)phenyl]boronic acid; [3-(methanesulfonamido)phenyl]boronic acid |
IUPAC Name: | [3-(methanesulfonamido)phenyl]boronic acid |
Description: | 3-(Methylsulfonylamino)phenylboronic Acid (CAS# 148355-75-3) is a useful research chemical. |
Molecular Weight: | 215.03 |
Molecular Formula: | C7H10NO4SB |
Canonical SMILES: | B(C1=CC(=CC=C1)NS(=O)(=O)C)(O)O |
InChI: | InChI=1S/C7H10BNO4S/c1-14(12,13)9-7-4-2-3-6(5-7)8(10)11/h2-5,9-11H,1H3 |
InChI Key: | XUIQQIRLFMCWLN-UHFFFAOYSA-N |
Boiling Point: | 433.7 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.42 g/cm3 |
MDL: | MFCD02179478 |
LogP: | -0.10830 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020247804-A1 | Heterocycle substituted pyridine derivative antifungal agents | 20190607 |
US-2019322655-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
WO-2019180646-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
AU-2019237344-A1 | Novel triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same | 20180321 |
CN-111886233-A | Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same | 20180321 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.0423591 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.0423591 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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