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Home > Boronic Acids > 1040377-08-9
1040377-08-9 | 2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazol-1-yl);ethanol
CAS No: 1040377-08-9 Catalog No: AG007WSE MDL No:MFCD12033564
Product Description
Catalog Number:
AG007WSE
Chemical Name:
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl);-1H-pyrazol-1-yl);ethanol
CAS Number:
1040377-08-9
Molecular Formula:
C11H19BN2O3
Molecular Weight:
238.0912
MDL Number:
MFCD12033564
IUPAC Name:
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanol
InChI:
InChI=1S/C11H19BN2O3/c1-10(2)11(3,4)17-12(16-10)9-7-13-14(8-9)5-6-15/h7-8,15H,5-6H2,1-4H3
InChI Key:
QEHDAUWYRNEWBF-UHFFFAOYSA-N
SMILES:
OCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.149g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.094g/mol
Monoisotopic Mass:
238.149g/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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