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Home > Boronic Acids > 197223-39-5
197223-39-5 | Boronic acid, B-[3,5-bis(1,1-dimethylethyl)phenyl]-
CAS No: 197223-39-5 Catalog No: AG002AOE MDL No:MFCD07780212
Product Description
Catalog Number:
AG002AOE
Chemical Name:
Boronic acid, B-[3,5-bis(1,1-dimethylethyl)phenyl]-
CAS Number:
197223-39-5
Molecular Formula:
C14H23BO2
Molecular Weight:
234.1422
MDL Number:
MFCD07780212
IUPAC Name:
(3,5-ditert-butylphenyl)boronic acid
InChI:
InChI=1S/C14H23BO2/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15(16)17/h7-9,16-17H,1-6H3
InChI Key:
RPCBIEHUQSGPNA-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(C)(C)C)C(C)(C)C)O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.179g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.146g/mol
Monoisotopic Mass:
234.179g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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