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Home > Boronic Acids > 1072951-64-4
1072951-64-4 | (2-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid
CAS No: 1072951-64-4 Catalog No: AG003G7N MDL No:MFCD08705265
Product Description
Catalog Number:
AG003G7N
Chemical Name:
(2-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid
CAS Number:
1072951-64-4
Molecular Formula:
C19H25BO3
Molecular Weight:
312.2110
MDL Number:
MFCD08705265
IUPAC Name:
[2-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C19H25BO3/c1-13(2)16-9-7-10-17(14(3)4)19(16)23-12-15-8-5-6-11-18(15)20(21)22/h5-11,13-14,21-22H,12H2,1-4H3
InChI Key:
HPQFMTHWDXHLCU-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1COc1c(cccc1C(C)C)C(C)C)O
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.216g/mol
Monoisotopic Mass:
312.19g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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