[4-(Adamantan-1-yl)phenyl]boronic acid - CAS 1527479-23-7
Catalog: |
BB075355 |
Product Name: |
[4-(Adamantan-1-yl)phenyl]boronic acid |
CAS: |
1527479-23-7 |
Synonyms: |
[4-(Adamantan-1-yl)phenyl]boronic acid; [4-(1-adamantyl)phenyl]boronic acid; (4-(Adamantan-1-yl)phenyl)boronic acid; (4-(Adamantan-1-yl)phenyl)boronicacid; 4-(Adamantan-1-yl)phenyl]boronic acid |
IUPAC Name: | [4-(1-adamantyl)phenyl]boronic acid |
Description: | [4-(Adamantan-1-yl)phenyl]boronic acid |
Molecular Weight: | 256.14 |
Molecular Formula: | C16H21BO2 |
Canonical SMILES: | B(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)(O)O |
InChI: | InChI=1S/C16H21BO2/c18-17(19)15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18-19H,5-10H2 |
InChI Key: | GJRCFNUBCUMANE-UHFFFAOYSA-N |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.1634601 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.1634601 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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