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Home > Boronic Acids > 96508-56-4
96508-56-4 | 2-Octyl-1,3,6,2-dioxazaborocane
CAS No: 96508-56-4 Catalog No: AG00IJTN MDL No:MFCD08274481
Product Description
Catalog Number:
AG00IJTN
Chemical Name:
2-Octyl-1,3,6,2-dioxazaborocane
CAS Number:
96508-56-4
Molecular Formula:
C12H26BNO2
Molecular Weight:
227.1513
MDL Number:
MFCD08274481
IUPAC Name:
2-octyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C12H26BNO2/c1-2-3-4-5-6-7-8-13-15-11-9-14-10-12-16-13/h14H,2-12H2,1H3
InChI Key:
FIMPPRVTIAPGGM-UHFFFAOYSA-N
SMILES:
CCCCCCCCB1OCCNCCO1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.206g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.155g/mol
Monoisotopic Mass:
227.206g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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