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Home > Boronic Acids > 1287753-40-5
1287753-40-5 | [4-(1-piperidin-1-ylethyl)phenyl]boronic acid
CAS No: 1287753-40-5 Catalog No: AG00HRUV MDL No:MFCD08059977
Product Description
Catalog Number:
AG00HRUV
Chemical Name:
[4-(1-piperidin-1-ylethyl)phenyl]boronic acid
CAS Number:
1287753-40-5
Molecular Formula:
C13H20BNO2
Molecular Weight:
233.1144
MDL Number:
MFCD08059977
IUPAC Name:
[4-(1-piperidin-1-ylethyl)phenyl]boronic acid
InChI:
InChI=1S/C13H20BNO2/c1-11(15-9-3-2-4-10-15)12-5-7-13(8-6-12)14(16)17/h5-8,11,16-17H,2-4,9-10H2,1H3
InChI Key:
AAVZQQFWPJUBCQ-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(N1CCCCC1)C)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.159g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.118g/mol
Monoisotopic Mass:
233.159g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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