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Home > Boronic Acids > 95611-20-4
95611-20-4 | Boronic acid, phenyl-, dioctadecyl ester
CAS No: 95611-20-4 Catalog No: AG006CCE MDL No:
Product Description
Catalog Number:
AG006CCE
Chemical Name:
Boronic acid, phenyl-, dioctadecyl ester
CAS Number:
95611-20-4
Molecular Formula:
C42H79BO2
Molecular Weight:
626.8865
IUPAC Name:
dioctadecoxy(phenyl)borane
InChI:
InChI=1S/C42H79BO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-40-44-43(42-38-34-33-35-39-42)45-41-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35,38-39H,3-32,36-37,40-41H2,1-2H3
InChI Key:
XVGMCEZKIXZSPP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOB(c1ccccc1)OCCCCCCCCCCCCCCCCCC
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
626.617g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
626.902g/mol
Monoisotopic Mass:
626.617g/mol
Rotatable Bond Count:
37
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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