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Home > Boronic Acids > 1072951-66-6
1072951-66-6 | (3-((4-(tert-Butyl)-2-methylphenoxy)methyl)phenyl)boronic acid
CAS No: 1072951-66-6 Catalog No: AG003IRK MDL No:MFCD09038420
Product Description
Catalog Number:
AG003IRK
Chemical Name:
(3-((4-(tert-Butyl)-2-methylphenoxy)methyl)phenyl)boronic acid
CAS Number:
1072951-66-6
Molecular Formula:
C18H23BO3
Molecular Weight:
298.1844
MDL Number:
MFCD09038420
IUPAC Name:
[3-[(4-tert-butyl-2-methylphenoxy)methyl]phenyl]boronic acid
InChI:
InChI=1S/C18H23BO3/c1-13-10-15(18(2,3)4)8-9-17(13)22-12-14-6-5-7-16(11-14)19(20)21/h5-11,20-21H,12H2,1-4H3
InChI Key:
GWPBTVPFWPHZCI-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)COc1ccc(cc1C)C(C)(C)C)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.189g/mol
Monoisotopic Mass:
298.174g/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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