3-Methoxy-2-pivalamidophenylboronic Acid - CAS 170959-23-6
Catalog: |
BB012691 |
Product Name: |
3-Methoxy-2-pivalamidophenylboronic Acid |
CAS: |
170959-23-6 |
Synonyms: |
[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-methoxyphenyl]boronic acid; [2-(2,2-dimethylpropanoylamino)-3-methoxyphenyl]boronic acid |
IUPAC Name: | [2-(2,2-dimethylpropanoylamino)-3-methoxyphenyl]boronic acid |
Description: | 3-Methoxy-2-pivalamidophenylboronic Acid (CAS# 170959-23-6 ) is a useful research chemical. |
Molecular Weight: | 251.09 |
Molecular Formula: | C12H18NO4B |
Canonical SMILES: | B(C1=C(C(=CC=C1)OC)NC(=O)C(C)(C)C)(O)O |
InChI: | InChI=1S/C12H18BNO4/c1-12(2,3)11(15)14-10-8(13(16)17)6-5-7-9(10)18-4/h5-7,16-17H,1-4H3,(H,14,15) |
InChI Key: | YZAZGYSVZNGIMD-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: | 251.1328882 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.1328882 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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