Home Boronic Acids 280559-30-0
280559-30-0,MFCD09953475
Catalog No.:AA003HS4
280559-30-0 | 2-Phenyl-1-propylboronic acid pinacol ester
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250mg
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Technical Information
Catalog Number:
AA003HS4
Chemical Name:
2-Phenyl-1-propylboronic acid pinacol ester
CAS Number:
280559-30-0
Molecular Formula:
C15H23BO2
Molecular Weight:
246.1529
MDL Number:
MFCD09953475
IUPAC Name:
4,4,5,5-tetramethyl-2-(2-phenylpropyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C15H23BO2/c1-12(13-9-7-6-8-10-13)11-16-17-14(2,3)15(4,5)18-16/h6-10,12H,11H2,1-5H3
InChI Key:
GTZNZJQZUWIDTN-UHFFFAOYSA-N
SMILES:
CC(c1ccccc1)CB1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.179g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.157g/mol
Monoisotopic Mass:
246.179g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
280559-30-0 
4,4,5,5-Tetramethyl-2-(2-phenylpropyl)-1,3,2-dioxaborolane 
RTR-012464 
2-Phenylpropylboronic acid pinacol ester 
ACM280559300 
OR361527 
AX8280839 
TR-012464 
A-9146 
2-Phenyl-1-propylboronic acid pinacol ester, 97% 
J-016957 
2-(2-Phenylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
2-PHENYL-1-PROPYLBORONIC ACID PINACOL ESTER 
MFCD09953475 
SCHEMBL15923558 
CTK8B3018 
DTXSID90674693 
ANW-41608 
AKOS022172807 
FCH2716581 
Literature
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