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Home > Boronic Acids > 333788-94-6
333788-94-6 | 4-Benzyloxy-3,5-dimethylphenylboronic acid
CAS No: 333788-94-6 Catalog No: AG007FUU MDL No:MFCD04039003
Product Description
Catalog Number:
AG007FUU
Chemical Name:
4-Benzyloxy-3,5-dimethylphenylboronic acid
CAS Number:
333788-94-6
Molecular Formula:
C15H17BO3
Molecular Weight:
256.1047
MDL Number:
MFCD04039003
IUPAC Name:
(3,5-dimethyl-4-phenylmethoxyphenyl)boronic acid
InChI:
InChI=1S/C15H17BO3/c1-11-8-14(16(17)18)9-12(2)15(11)19-10-13-6-4-3-5-7-13/h3-9,17-18H,10H2,1-2H3
InChI Key:
CJTSQFDAXDNKNQ-UHFFFAOYSA-N
SMILES:
OB(c1cc(C)c(c(c1)C)OCc1ccccc1)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.108g/mol
Monoisotopic Mass:
256.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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