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Home > Boronic Acids > 1301198-10-6
1301198-10-6 | [4-(Piperidin-1-ylmethyl)phenyl]boronic acid hydrochloride
CAS No: 1301198-10-6 Catalog No: AG009YM4 MDL No:MFCD18071427
Product Description
Catalog Number:
AG009YM4
Chemical Name:
[4-(Piperidin-1-ylmethyl)phenyl]boronic acid hydrochloride
CAS Number:
1301198-10-6
Molecular Formula:
C12H19BClNO2
Molecular Weight:
255.5488
MDL Number:
MFCD18071427
IUPAC Name:
[4-(piperidin-1-ylmethyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C12H18BNO2.ClH/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;/h4-7,15-16H,1-3,8-10H2;1H
InChI Key:
TYCJJRQXPDMXAU-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCCCC1)O.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.549g/mol
Monoisotopic Mass:
255.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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