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Home > Boronic Acids > 1313760-38-1
1313760-38-1 | Boronic acid, B-[3-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]-
CAS No: 1313760-38-1 Catalog No: AG01FKZC MDL No:
Product Description
Catalog Number:
AG01FKZC
Chemical Name:
Boronic acid, B-[3-[[4-(1,1-dimethylethyl)phenyl]methoxy]phenyl]-
CAS Number:
1313760-38-1
Molecular Formula:
C17H21BO3
Molecular Weight:
284.1578
IUPAC Name:
[3-[(4-tert-butylphenyl)methoxy]phenyl]boronic acid
InChI:
InChI=1S/C17H21BO3/c1-17(2,3)14-9-7-13(8-10-14)12-21-16-6-4-5-15(11-16)18(19)20/h4-11,19-20H,12H2,1-3H3
InChI Key:
VVAMKIHTHYBXQU-UHFFFAOYSA-N
SMILES:
OB(c1cccc(c1)OCc1ccc(cc1)C(C)(C)C)O
Properties
Complexity:
306
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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