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Home > Boronic Acids > 1245943-60-5
1245943-60-5 | Boronic acid, B-1-dibenzothienyl-
CAS No: 1245943-60-5 Catalog No: AG000MFL MDL No:
Product Description
Catalog Number:
AG000MFL
Chemical Name:
Boronic acid, B-1-dibenzothienyl-
CAS Number:
1245943-60-5
Molecular Formula:
C12H9BO2S
Molecular Weight:
228.0747
IUPAC Name:
dibenzothiophen-1-ylboronic acid
InChI:
InChI=1S/C12H9BO2S/c14-13(15)9-5-3-7-11-12(9)8-4-1-2-6-10(8)16-11/h1-7,14-15H
InChI Key:
JJMKWIWQQJZXDP-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1c1ccccc1s2)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.042g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.072g/mol
Monoisotopic Mass:
228.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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