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Home > Boronic Acids > 1536398-19-2
1536398-19-2 | (2-(4-(Methoxycarbonyl)piperidin-1-yl)pyriMidin-5-yl)boronic acid
CAS No: 1536398-19-2 Catalog No: AG00AO7R MDL No:MFCD28041153
Product Description
Catalog Number:
AG00AO7R
Chemical Name:
(2-(4-(Methoxycarbonyl)piperidin-1-yl)pyriMidin-5-yl)boronic acid
CAS Number:
1536398-19-2
Molecular Formula:
C11H16BN3O4
Molecular Weight:
265.0734
MDL Number:
MFCD28041153
IUPAC Name:
[2-(4-methoxycarbonylpiperidin-1-yl)pyrimidin-5-yl]boronic acid
InChI:
InChI=1S/C11H16BN3O4/c1-19-10(16)8-2-4-15(5-3-8)11-13-6-9(7-14-11)12(17)18/h6-8,17-18H,2-5H2,1H3
InChI Key:
KBNOLNOVDAQIAK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCN(CC1)c1ncc(cn1)B(O)O
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.076g/mol
Monoisotopic Mass:
265.123g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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