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Home > Boronic Acids > 229009-42-1
229009-42-1 | Boronic acid, B-[4-(1-piperidinyl)phenyl]-
CAS No: 229009-42-1 Catalog No: AG002LF4 MDL No:MFCD03095171
Product Description
Catalog Number:
AG002LF4
Chemical Name:
Boronic acid, B-[4-(1-piperidinyl)phenyl]-
CAS Number:
229009-42-1
Molecular Formula:
C11H16BNO2
Molecular Weight:
205.0612
MDL Number:
MFCD03095171
IUPAC Name:
(4-piperidin-1-ylphenyl)boronic acid;hydrochloride
InChI:
InChI=1S/C11H16BNO2.ClH/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13;/h4-7,14-15H,1-3,8-9H2;1H
InChI Key:
XJTAVEWPXXNWGK-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)N1CCCCC1)O
Properties
Complexity:
187
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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