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Home > Boronic Acids > 850568-54-6
850568-54-6 | 4-(tert-Butoxycarbonyl)phenylboronic acid
CAS No: 850568-54-6 Catalog No: AG0036FY MDL No:MFCD03411946
Product Description
Catalog Number:
AG0036FY
Chemical Name:
4-(tert-Butoxycarbonyl)phenylboronic acid
CAS Number:
850568-54-6
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD03411946
IUPAC Name:
[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-4-6-9(7-5-8)12(14)15/h4-7,14-15H,1-3H3
InChI Key:
QMVMDYSTJSUDKC-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)OC(C)(C)C)O
Properties
Complexity:
239
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:
2
Isotope Atom Count:
0
Molecular Weight:
222.047g/mol
Monoisotopic Mass:
222.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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