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Home > Boronic Acids > 1315278-37-5
1315278-37-5 | 4-(Homopiperidine)methyl) phenylboronic acid pinacol ester
CAS No: 1315278-37-5 Catalog No: AG009YMA MDL No:MFCD16294503
Product Description
Catalog Number:
AG009YMA
Chemical Name:
4-(Homopiperidine)methyl) phenylboronic acid pinacol ester
CAS Number:
1315278-37-5
Molecular Formula:
C19H30BNO2
Molecular Weight:
315.2580
MDL Number:
MFCD16294503
IUPAC Name:
1-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]azepane
InChI:
InChI=1S/C19H30BNO2/c1-18(2)19(3,4)23-20(22-18)17-11-9-16(10-12-17)15-21-13-7-5-6-8-14-21/h9-12H,5-8,13-15H2,1-4H3
InChI Key:
UFFAWIHINLIOPX-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)CN1CCCCCC1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.237g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.264g/mol
Monoisotopic Mass:
315.237g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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