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Home > Boronic Acids > 108847-76-3
108847-76-3 | Thianthren-1-ylboronic acid
CAS No: 108847-76-3 Catalog No: AG003ENU MDL No:MFCD00093039
Product Description
Catalog Number:
AG003ENU
Chemical Name:
Thianthren-1-ylboronic acid
CAS Number:
108847-76-3
Molecular Formula:
C12H9BO2S2
Molecular Weight:
260.1397
MDL Number:
MFCD00093039
IUPAC Name:
thianthren-1-ylboronic acid
InChI:
InChI=1S/C12H9BO2S2/c14-13(15)8-4-3-7-11-12(8)17-10-6-2-1-5-9(10)16-11/h1-7,14-15H
InChI Key:
FZEWPLIHPXGNTB-UHFFFAOYSA-N
SMILES:
OB(c1cccc2c1Sc1ccccc1S2)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.014g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.132g/mol
Monoisotopic Mass:
260.014g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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