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Home > Boronic Acids > 925921-29-5
925921-29-5 | 5-TERT-BUTOXYCARBONYLTHIOPHENE-2-BORONIC ACID
CAS No: 925921-29-5 Catalog No: AG00GYEL MDL No:MFCD09952055
Product Description
Catalog Number:
AG00GYEL
Chemical Name:
5-TERT-BUTOXYCARBONYLTHIOPHENE-2-BORONIC ACID
CAS Number:
925921-29-5
Molecular Formula:
C9H13BO4S
Molecular Weight:
228.0731
MDL Number:
MFCD09952055
IUPAC Name:
[5-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]boronic acid
InChI:
InChI=1S/C9H13BO4S/c1-9(2,3)14-8(11)6-4-5-7(15-6)10(12)13/h4-5,12-13H,1-3H3
InChI Key:
LKQDOTUUIDJQFS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(s1)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:
228.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.069g/mol
Monoisotopic Mass:
228.063g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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