(5-Bromo-2-[(2,2-dimethylpropoxy)carbonyl]phenyl)boronic acid - CAS 1309980-79-7
Catalog: |
BB055299 |
Product Name: |
(5-Bromo-2-[(2,2-dimethylpropoxy)carbonyl]phenyl)boronic acid |
CAS: |
1309980-79-7 |
Synonyms: |
5-BROMO-2-(NEOPENTYLOXYCARBONYL)PHENYLBORONIC ACID; (5-BROMO-2-[(2,2-DIMETHYLPROPOXY)CARBONYL]PHENYL)BORONIC ACID; (5-Bromo-2-((neopentyloxy)carbonyl)phenyl)boronic acid; [5-bromo-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid |
IUPAC Name: | [5-bromo-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid |
Description: | (5-Bromo-2-[(2,2-dimethylpropoxy)carbonyl]phenyl)boronic acid |
Molecular Weight: | 314.97 |
Molecular Formula: | C12H16BBrO4 |
Canonical SMILES: | B(C1=C(C=CC(=C1)Br)C(=O)OCC(C)(C)C)(O)O |
InChI: | InChI=1S/C12H16BBrO4/c1-12(2,3)7-18-11(15)9-5-4-8(14)6-10(9)13(16)17/h4-6,16-17H,7H2,1-3H3 |
InChI Key: | PFQQZEMAZQNSCZ-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: | 314.0325 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.0325 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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