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Home > Boronic Acids > 306935-93-3
306935-93-3 | Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, monohydrate (9CI)
CAS No: 306935-93-3 Catalog No: AG0030W2 MDL No:MFCD02180675
Product Description
Catalog Number:
AG0030W2
Chemical Name:
Boronic acid, [2,4-bis(1,1-dimethylethoxy)-5-pyrimidinyl]-, monohydrate (9CI)
CAS Number:
306935-93-3
Molecular Formula:
C12H23BN2O5
Molecular Weight:
286.1324
MDL Number:
MFCD02180675
IUPAC Name:
[2,4-bis[(2-methylpropan-2-yl)oxy]pyrimidin-5-yl]boronic acid;hydrate
InChI:
InChI=1S/C12H21BN2O4.H2O/c1-11(2,3)18-9-8(13(16)17)7-14-10(15-9)19-12(4,5)6;/h7,16-17H,1-6H3;1H2
InChI Key:
WNNMPLYQLSDLPS-UHFFFAOYSA-N
SMILES:
OB(c1cnc(nc1OC(C)(C)C)OC(C)(C)C)O.O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.17g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.135g/mol
Monoisotopic Mass:
286.17g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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