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Home > Boronic Acids > 1072951-87-1
1072951-87-1 | (2-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid
CAS No: 1072951-87-1 Catalog No: AG003G7P MDL No:MFCD08276821
Product Description
Catalog Number:
AG003G7P
Chemical Name:
(2-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid
CAS Number:
1072951-87-1
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
MDL Number:
MFCD08276821
IUPAC Name:
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C17H21BO3/c1-12(2)15-9-8-13(3)10-17(15)21-11-14-6-4-5-7-16(14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI Key:
JDYAGWNUTBEZCI-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OCc1ccccc1B(O)O)C(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.158g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.162g/mol
Monoisotopic Mass:
284.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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