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Home > Boronic Acids > 92527-13-4
92527-13-4 | 2-Butyl-1,3,6,2-dioxazaborocane
CAS No: 92527-13-4 Catalog No: AG019CFO MDL No:MFCD03416840
Product Description
Catalog Number:
AG019CFO
Chemical Name:
2-Butyl-1,3,6,2-dioxazaborocane
CAS Number:
92527-13-4
Molecular Formula:
C8H18BNO2
Molecular Weight:
171.0450
MDL Number:
MFCD03416840
IUPAC Name:
2-butyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C8H18BNO2/c1-2-3-4-9-11-7-5-10-6-8-12-9/h10H,2-8H2,1H3
InChI Key:
MBGBWTARQCUNEI-UHFFFAOYSA-N
SMILES:
CCCCB1OCCNCCO1
NSC Number:
404883
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.143g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.047g/mol
Monoisotopic Mass:
171.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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