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Home > Other Heterocycles > 96677-43-9
96677-43-9 | 2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3-(phenoxymethyl)-
CAS No: 96677-43-9 Catalog No: AG006PMA MDL No:
Product Description
Catalog Number:
AG006PMA
Chemical Name:
2,8,9-Trioxa-5-aza-1-borabicyclo[3.3.3]undecane, 3-(phenoxymethyl)-
CAS Number:
96677-43-9
Molecular Formula:
C13H18BNO4
Molecular Weight:
263.0973
IUPAC Name:
3-(phenoxymethyl)-2,8,9-trioxa-5-aza-1-borabicyclo[3.3.3]undecane
InChI:
InChI=1S/C13H18BNO4/c1-2-4-12(5-3-1)16-11-13-10-15-6-8-17-14(19-13)18-9-7-15/h1-5,13H,6-11H2
InChI Key:
UAMHQZVJSFRYDH-UHFFFAOYSA-N
SMILES:
C1OB2OCCN(C1)CC(O2)COc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.133g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.1g/mol
Monoisotopic Mass:
263.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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