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220210-56-0 | 3-tert-Butoxycarbonylphenylboronic acid
CAS No: 220210-56-0 Catalog No: AG0070ZX MDL No:MFCD01630855
Product Description
Catalog Number:
AG0070ZX
Chemical Name:
3-tert-Butoxycarbonylphenylboronic acid
CAS Number:
220210-56-0
Molecular Formula:
C11H15BO4
Molecular Weight:
222.0454
MDL Number:
MFCD01630855
IUPAC Name:
[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
InChI:
InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3
InChI Key:
HVJDVHCPCSZDSR-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)B(O)O)OC(C)(C)C
Properties
Complexity:
247
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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