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Home > Boronic Acids > 136099-65-5
136099-65-5 | 5-METHYLBENZOTHIOPHENE-2-BORONIC ACID
CAS No: 136099-65-5 Catalog No: AG009BCR MDL No:MFCD06200866
Product Description
Catalog Number:
AG009BCR
Chemical Name:
5-METHYLBENZOTHIOPHENE-2-BORONIC ACID
CAS Number:
136099-65-5
Molecular Formula:
C9H9BO2S
Molecular Weight:
192.0426
MDL Number:
MFCD06200866
IUPAC Name:
(5-methyl-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C9H9BO2S/c1-6-2-3-8-7(4-6)5-9(13-8)10(11)12/h2-5,11-12H,1H3
InChI Key:
DHNHZPQPQAINDI-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)cc(s2)B(O)O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.039g/mol
Monoisotopic Mass:
192.042g/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 |
|---|---|
| Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy. | Journal of medicinal chemistry 20071115 |
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