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Home > Boronic Acids > 1485418-79-8
1485418-79-8 | [6-(pyrrolidin-1-yl)pyridin-3-yl]boronic acid hydrochloride
CAS No: 1485418-79-8 Catalog No: AG01A30B MDL No:MFCD22628446
Product Description
Catalog Number:
AG01A30B
Chemical Name:
[6-(pyrrolidin-1-yl)pyridin-3-yl]boronic acid hydrochloride
CAS Number:
1485418-79-8
Molecular Formula:
C9H14BClN2O2
Molecular Weight:
228.4837
MDL Number:
MFCD22628446
IUPAC Name:
(6-pyrrolidin-1-ylpyridin-3-yl)boronic acid;hydrochloride
InChI:
InChI=1S/C9H13BN2O2.ClH/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12;/h3-4,7,13-14H,1-2,5-6H2;1H
InChI Key:
LJMHYIOWZAXVSA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(nc1)N1CCCC1)O.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
228.483g/mol
Monoisotopic Mass:
228.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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