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Home > Boronic Acids > 96472-47-8
96472-47-8 | 2-hexyl-1,3,6,2-dioxazaborocane
CAS No: 96472-47-8 Catalog No: AG00IJTH MDL No:MFCD08274480
Product Description
Catalog Number:
AG00IJTH
Chemical Name:
2-hexyl-1,3,6,2-dioxazaborocane
CAS Number:
96472-47-8
Molecular Formula:
C10H22BNO2
Molecular Weight:
199.0982
MDL Number:
MFCD08274480
IUPAC Name:
2-hexyl-1,3,6,2-dioxazaborocane
InChI:
InChI=1S/C10H22BNO2/c1-2-3-4-5-6-11-13-9-7-12-8-10-14-11/h12H,2-10H2,1H3
InChI Key:
PVDFIELIQQRDBY-UHFFFAOYSA-N
SMILES:
CCCCCCB1OCCNCCO1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.174g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.101g/mol
Monoisotopic Mass:
199.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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