(+)-(3-Bromopropyl)boronic Acid Pinanediol Ester - CAS 90084-37-0
Catalog: |
BB072005 |
Product Name: |
(+)-(3-Bromopropyl)boronic Acid Pinanediol Ester |
CAS: |
90084-37-0 |
Synonyms: |
(3aS,4S,6S,7aR)-2-(3-Bromopropyl)hexahydro-3a,5,5-trimethyl-4,6-methano-1,3,2-benzodioxaborole; (+)-Pinanediol 3-Bromopropylboronate; [3aS-(3aα,4β,6β,7aα)]-2-(3-Bromopropyl)hexahydro-3a,5,5-trimethyl-4,6-Methano-1,3,2-benzodioxaborole |
IUPAC Name: | (1S,2S,6R,8S)-4-(3-bromopropyl)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decane |
Molecular Weight: | 301.03 |
Molecular Formula: | C13H22BBrO2 |
Canonical SMILES: | B1(OC2CC3CC(C3(C)C)C2(O1)C)CCCBr |
InChI: | InChI=1S/C13H22BBrO2/c1-12(2)9-7-10(12)13(3)11(8-9)16-14(17-13)5-4-6-15/h9-11H,4-8H2,1-3H3/t9-,10-,11+,13-/m0/s1 |
InChI Key: | IFWLNKNUIWTYGB-KQXIARHKSA-N |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 4 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.08962 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.08962 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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