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Home > Boronic Acids > 1072946-21-4
1072946-21-4 | 3-(Piperidin-1-ylMethyl)phenylboronic acid, HCl
CAS No: 1072946-21-4 Catalog No: AG0090EM MDL No:MFCD10699627
Product Description
Catalog Number:
AG0090EM
Chemical Name:
3-(Piperidin-1-ylMethyl)phenylboronic acid, HCl
CAS Number:
1072946-21-4
Molecular Formula:
C12H19BClNO2
Molecular Weight:
255.5488
MDL Number:
MFCD10699627
IUPAC Name:
[3-(piperidin-1-ylmethyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C12H18BNO2.ClH/c15-13(16)12-6-4-5-11(9-12)10-14-7-2-1-3-8-14;/h4-6,9,15-16H,1-3,7-8,10H2;1H
InChI Key:
CYTHVUIHUCIBNP-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)CN1CCCCC1)O.Cl
Properties
Complexity:
207
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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