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Home > Boronic Acids > 1171892-54-8
1171892-54-8 | Benzenemethanol, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS No: 1171892-54-8 Catalog No: AG000DWE MDL No:MFCD23701472
Product Description
Catalog Number:
AG000DWE
Chemical Name:
Benzenemethanol, 4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CAS Number:
1171892-54-8
Molecular Formula:
C18H22BNO3
Molecular Weight:
311.1832
MDL Number:
MFCD23701472
IUPAC Name:
[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]phenyl]methanol
InChI:
InChI=1S/C18H22BNO3/c1-17(2)18(3,4)23-19(22-17)16-9-15(10-20-11-16)14-7-5-13(12-21)6-8-14/h5-11,21H,12H2,1-4H3
InChI Key:
IWHYPTQKCHZNRV-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)c1cncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.188g/mol
Monoisotopic Mass:
311.169g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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