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Home > Boronic Acids > 1233526-31-2
1233526-31-2 | 1H-Pyrazole, 1-(tetrahydro-1,1-dioxido-3-thienyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1233526-31-2 Catalog No: AG000KFG MDL No:MFCD18383245
Product Description
Catalog Number:
AG000KFG
Chemical Name:
1H-Pyrazole, 1-(tetrahydro-1,1-dioxido-3-thienyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1233526-31-2
Molecular Formula:
C13H21BN2O4S
Molecular Weight:
312.1928
MDL Number:
MFCD18383245
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]thiolane 1,1-dioxide
InChI:
InChI=1S/C13H21BN2O4S/c1-12(2)13(3,4)20-14(19-12)10-7-15-16(8-10)11-5-6-21(17,18)9-11/h7-8,11H,5-6,9H2,1-4H3
InChI Key:
IAJQUMAICKULHC-UHFFFAOYSA-N
SMILES:
O=S1(=O)CCC(C1)n1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.191g/mol
Monoisotopic Mass:
312.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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