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Home > Boronic Acids > 113893-08-6
113893-08-6 | Boronic acid, B-benzo[b]thien-3-yl-
CAS No: 113893-08-6 Catalog No: AG000A0A MDL No:MFCD01114669
Product Description
Catalog Number:
AG000A0A
Chemical Name:
Boronic acid, B-benzo[b]thien-3-yl-
CAS Number:
113893-08-6
Molecular Formula:
C8H7BO2S
Molecular Weight:
178.0160
MDL Number:
MFCD01114669
IUPAC Name:
1-benzothiophen-3-ylboronic acid
InChI:
InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H
InChI Key:
QVANIYYVZZLQJP-UHFFFAOYSA-N
SMILES:
OB(c1csc2c1cccc2)O
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.026g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.012g/mol
Monoisotopic Mass:
178.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of dual wavelength fluorescent benzo[b]thiophene boronic acid derivatives for sugar sensing. | Chemical biology & drug design 20071001 |
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