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Home > Boronic Acids > 1449135-43-6
1449135-43-6 | 1,3-Dimethyl-5-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophen-2-ylmethylene]-pyrimidine-2,4,6-trione
CAS No: 1449135-43-6 Catalog No: AG00HXAA MDL No:MFCD20527093
Product Description
Catalog Number:
AG00HXAA
Chemical Name:
1,3-Dimethyl-5-[5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-thiophen-2-ylmethylene]-pyrimidine-2,4,6-trione
CAS Number:
1449135-43-6
Molecular Formula:
C17H21BN2O5S
Molecular Weight:
376.2350
MDL Number:
MFCD20527093
IUPAC Name:
1,3-dimethyl-5-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C17H21BN2O5S/c1-16(2)17(3,4)25-18(24-16)12-8-7-10(26-12)9-11-13(21)19(5)15(23)20(6)14(11)22/h7-9H,1-6H3
InChI Key:
ACWASRSLONUFLW-UHFFFAOYSA-N
SMILES:
CN1C(=O)N(C)C(=O)C(=Cc2ccc(s2)B2OC(C(O2)(C)C)(C)C)C1=O
Properties
Complexity:
651
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.234g/mol
Monoisotopic Mass:
376.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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