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Home > Boronic Acids > 1309980-72-0
1309980-72-0 | Boronic acid, B-[4-(phenylmethoxy)-2-(1-piperidinyl)-5-pyrimidinyl]-
CAS No: 1309980-72-0 Catalog No: AG000V9A MDL No:MFCD08689618
Product Description
Catalog Number:
AG000V9A
Chemical Name:
Boronic acid, B-[4-(phenylmethoxy)-2-(1-piperidinyl)-5-pyrimidinyl]-
CAS Number:
1309980-72-0
Molecular Formula:
C16H20BN3O3
Molecular Weight:
313.1593
MDL Number:
MFCD08689618
IUPAC Name:
(4-phenylmethoxy-2-piperidin-1-ylpyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C16H20BN3O3/c21-17(22)14-11-18-16(20-9-5-2-6-10-20)19-15(14)23-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,21-22H,2,5-6,9-10,12H2
InChI Key:
SPOMEULVXQDYOU-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1OCc1ccccc1)N1CCCCC1)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.16g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.164g/mol
Monoisotopic Mass:
313.16g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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