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Home > Boronic Acids > 1072951-74-6
1072951-74-6 | (3-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid
CAS No: 1072951-74-6 Catalog No: AG003IRC MDL No:MFCD08276820
Product Description
Catalog Number:
AG003IRC
Chemical Name:
(3-((2-Isopropyl-5-methylphenoxy)methyl)phenyl)boronic acid
CAS Number:
1072951-74-6
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
MDL Number:
MFCD08276820
IUPAC Name:
[3-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C17H21BO3/c1-12(2)16-8-7-13(3)9-17(16)21-11-14-5-4-6-15(10-14)18(19)20/h4-10,12,19-20H,11H2,1-3H3
InChI Key:
AABBYGNTCONFJV-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)OCc1cccc(c1)B(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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