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Home > Boronic Acids > 1040377-18-1
1040377-18-1 | 2-Methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-1-ol
CAS No: 1040377-18-1 Catalog No: AG003A6A MDL No:MFCD22571853
Product Description
Catalog Number:
AG003A6A
Chemical Name:
2-Methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propan-1-ol
CAS Number:
1040377-18-1
Molecular Formula:
C13H23BN2O3
Molecular Weight:
266.1443
MDL Number:
MFCD22571853
IUPAC Name:
2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propan-1-ol
InChI:
InChI=1S/C13H23BN2O3/c1-11(2,9-17)16-8-10(7-15-16)14-18-12(3,4)13(5,6)19-14/h7-8,17H,9H2,1-6H3
InChI Key:
FOKQLUKEGWVIDM-UHFFFAOYSA-N
SMILES:
OCC(n1ncc(c1)B1OC(C(O1)(C)C)(C)C)(C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.18g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.148g/mol
Monoisotopic Mass:
266.18g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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