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Home > Boronic Acids > 1217501-55-7
1217501-55-7 | Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-
CAS No: 1217501-55-7 Catalog No: AG0015SW MDL No:MFCD13195675
Product Description
Catalog Number:
AG0015SW
Chemical Name:
Benzoic acid, 3-borono-5-(1,1-dimethylethyl)-
CAS Number:
1217501-55-7
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD13195675
IUPAC Name:
3-borono-5-tert-butylbenzoic acid
InChI:
InChI=1S/C11H15BO4/c1-11(2,3)8-4-7(10(13)14)5-9(6-8)12(15)16/h4-6,15-16H,1-3H3,(H,13,14)
InChI Key:
XQJCIOKGUCEOEV-UHFFFAOYSA-N
SMILES:
OB(c1cc(cc(c1)C(C)(C)C)C(=O)O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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