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Home > Boronic Acids > 1072952-19-2
1072952-19-2 | 3-(PIPERIDINO)PHENYLBORONIC ACID HCL
CAS No: 1072952-19-2 Catalog No: AG008S71 MDL No:
Product Description
Catalog Number:
AG008S71
Chemical Name:
3-(PIPERIDINO)PHENYLBORONIC ACID HCL
CAS Number:
1072952-19-2
Molecular Formula:
C11H17BClNO2
Molecular Weight:
241.5222
IUPAC Name:
(3-piperidin-1-ylphenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C11H16BNO2.ClH/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13;/h4-6,9,14-15H,1-3,7-8H2;1H
InChI Key:
HZOBVNKZHFMVJN-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)N1CCCCC1)O.Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
241.522g/mol
Monoisotopic Mass:
241.104g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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