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608534-43-6 | 2,2-DIPHENYL-1-ETHYLBORONIC ACID DIETHANOLAMINE ESTER
CAS No: 608534-43-6 Catalog No: AG003FC2 MDL No:
Product Description
Catalog Number:
AG003FC2
Chemical Name:
2,2-DIPHENYL-1-ETHYLBORONIC ACID DIETHANOLAMINE ESTER
CAS Number:
608534-43-6
Molecular Formula:
C18H22BNO2
Molecular Weight:
295.1838
IUPAC Name:
2-(2,2-diphenylethyl)-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C18H22BNO2/c1-3-7-16(8-4-1)18(17-9-5-2-6-10-17)15-19-21-13-11-20-12-14-22-19/h1-10,18,20H,11-15H2
InChI Key:
ZHURKSONLXTDNH-UHFFFAOYSA-N
SMILES:
N1CCOB(OCC1)CC(c1ccccc1)c1ccccc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.189g/mol
Monoisotopic Mass:
295.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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