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Home > Boronic Acids > 1200434-84-9
1200434-84-9 | Boronic acid, B-[4-(1-piperidinylmethyl)phenyl]-
CAS No: 1200434-84-9 Catalog No: AG000Q6Q MDL No:MFCD06801706
Product Description
Catalog Number:
AG000Q6Q
Chemical Name:
Boronic acid, B-[4-(1-piperidinylmethyl)phenyl]-
CAS Number:
1200434-84-9
Molecular Formula:
C12H18BNO2
Molecular Weight:
219.0878
MDL Number:
MFCD06801706
IUPAC Name:
[4-(piperidin-1-ylmethyl)phenyl]boronic acid
InChI:
InChI=1S/C12H18BNO2/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
InChI Key:
JCTKDFLQUWSRMC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)CN1CCCCC1)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.143g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.091g/mol
Monoisotopic Mass:
219.143g/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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