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1234563-14-4 | 1-Propanol, 3-[[3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-, hydrochloride (1:1)
CAS No: 1234563-14-4 Catalog No: AG000KM0 MDL No:MFCD28978591
Product Description
Catalog Number:
AG000KM0
Chemical Name:
1-Propanol, 3-[[3-(aminomethyl)-1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl]oxy]-, hydrochloride (1:1)
CAS Number:
1234563-14-4
Molecular Formula:
C11H17BClNO4
Molecular Weight:
273.5210
MDL Number:
MFCD28978591
IUPAC Name:
3-[[3-(aminomethyl)-1-hydroxy-3H-2,1-benzoxaborol-7-yl]oxy]propan-1-ol;hydrochloride
InChI:
InChI=1S/C11H16BNO4.ClH/c13-7-10-8-3-1-4-9(16-6-2-5-14)11(8)12(15)17-10;/h1,3-4,10,14-15H,2,5-7,13H2;1H
InChI Key:
DADYQGIQOBJGIW-UHFFFAOYSA-N
SMILES:
OCCCOc1cccc2c1B(O)OC2CN.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.52g/mol
Monoisotopic Mass:
273.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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