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Home > Boronic Acids > 89787-13-3
89787-13-3 | Boronic acid, [2-(1,1-dimethylethyl)phenyl]-
CAS No: 89787-13-3 Catalog No: AG003YHE MDL No:MFCD20282773
Product Description
Catalog Number:
AG003YHE
Chemical Name:
Boronic acid, [2-(1,1-dimethylethyl)phenyl]-
CAS Number:
89787-13-3
Molecular Formula:
C10H15BO2
Molecular Weight:
178.0359
MDL Number:
MFCD20282773
IUPAC Name:
(2-tert-butylphenyl)boronic acid
InChI:
InChI=1S/C10H15BO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7,12-13H,1-3H3
InChI Key:
LXLMKMLQQJSOCB-UHFFFAOYSA-N
SMILES:
OB(c1ccccc1C(C)(C)C)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.117g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.038g/mol
Monoisotopic Mass:
178.117g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A tetra-substituted chrysene: orientation of multiple electrophilic substitution and use of a tetra-substituted chrysene as a blue emitter for OLEDs. | Chemical communications (Cambridge, England) 20080528 |
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