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Home > Boronic Acids > 1218790-48-7
1218790-48-7 | 4-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-ylidenemethyl)benzeneboronic acid pinacol ester
CAS No: 1218790-48-7 Catalog No: AG009II5 MDL No:MFCD11113040
Product Description
Catalog Number:
AG009II5
Chemical Name:
4-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-ylidenemethyl)benzeneboronic acid pinacol ester
CAS Number:
1218790-48-7
Molecular Formula:
C19H23BN2O5
Molecular Weight:
370.2073
MDL Number:
MFCD11113040
IUPAC Name:
1,3-dimethyl-5-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C19H23BN2O5/c1-18(2)19(3,4)27-20(26-18)13-9-7-12(8-10-13)11-14-15(23)21(5)17(25)22(6)16(14)24/h7-11H,1-6H3
InChI Key:
AWWSBYIWDATYAG-UHFFFAOYSA-N
SMILES:
CN1C(=O)N(C)C(=O)C(=Cc2ccc(cc2)B2OC(C(O2)(C)C)(C)C)C1=O
Properties
Complexity:
652
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.212g/mol
Monoisotopic Mass:
370.17g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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