4-[2-(Methylsulfonyl)ethoxy]phenylboronic Acid - CAS 1334398-47-8
Catalog: |
BB007760 |
Product Name: |
4-[2-(Methylsulfonyl)ethoxy]phenylboronic Acid |
CAS: |
1334398-47-8 |
Synonyms: |
[4-(2-methylsulfonylethoxy)phenyl]boronic acid; [4-(2-methylsulfonylethoxy)phenyl]boronic acid |
IUPAC Name: | [4-(2-methylsulfonylethoxy)phenyl]boronic acid |
Description: | 4-[2-(Methylsulfonyl)ethoxy]phenylboronic Acid (CAS# 1334398-47-8 ) is a useful research chemical. |
Molecular Weight: | 244.07 |
Molecular Formula: | C9H13O5SB |
Canonical SMILES: | B(C1=CC=C(C=C1)OCCS(=O)(=O)C)(O)O |
InChI: | InChI=1S/C9H13BO5S/c1-16(13,14)7-6-15-9-4-2-8(3-5-9)10(11)12/h2-5,11-12H,6-7H2,1H3 |
InChI Key: | KSDXMWMYGLRIDO-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 244.0576749 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 244.0576749 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 92.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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