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Home > Boronic Acids > 495382-48-4
495382-48-4 | 5-TERT-BUTYLTHIOPHENE-2-BORONIC ACID
CAS No: 495382-48-4 Catalog No: AG00DFT6 MDL No:MFCD09952069
Product Description
Catalog Number:
AG00DFT6
Chemical Name:
5-TERT-BUTYLTHIOPHENE-2-BORONIC ACID
CAS Number:
495382-48-4
Molecular Formula:
C8H13BO2S
Molecular Weight:
184.0636
MDL Number:
MFCD09952069
IUPAC Name:
(5-tert-butylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C8H13BO2S/c1-8(2,3)6-4-5-7(12-6)9(10)11/h4-5,10-11H,1-3H3
InChI Key:
QIZSEUWAQZNLDY-UHFFFAOYSA-N
SMILES:
OB(c1ccc(s1)C(C)(C)C)O
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.073g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.06g/mol
Monoisotopic Mass:
184.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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