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Home > Boronic Acids > 1072951-63-3
1072951-63-3 | (4-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid
CAS No: 1072951-63-3 Catalog No: AG0084WH MDL No:MFCD08276829
Product Description
Catalog Number:
AG0084WH
Chemical Name:
(4-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid
CAS Number:
1072951-63-3
Molecular Formula:
C19H25BO3
Molecular Weight:
312.2110
MDL Number:
MFCD08276829
IUPAC Name:
[4-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid
InChI:
InChI=1S/C19H25BO3/c1-13(2)17-6-5-7-18(14(3)4)19(17)23-12-15-8-10-16(11-9-15)20(21)22/h5-11,13-14,21-22H,12H2,1-4H3
InChI Key:
IYHHUWVULUSILI-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1OCc1ccc(cc1)B(O)O)C(C)C)C
Properties
Complexity:
322
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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