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Home > Boronic Acids > 936901-97-2
936901-97-2 | 7-(TRIFLUOROMETHYL)BENZO[B]THIOPHEN-2-YL BORONIC ACID
CAS No: 936901-97-2 Catalog No: AG0061IA MDL No:
Product Description
Catalog Number:
AG0061IA
Chemical Name:
7-(TRIFLUOROMETHYL)BENZO[B]THIOPHEN-2-YL BORONIC ACID
CAS Number:
936901-97-2
Molecular Formula:
C9H6BF3O2S
Molecular Weight:
246.0139
IUPAC Name:
[7-(trifluoromethyl)-1-benzothiophen-2-yl]boronic acid
InChI:
InChI=1S/C9H6BF3O2S/c11-9(12,13)6-3-1-2-5-4-7(10(14)15)16-8(5)6/h1-4,14-15H
InChI Key:
UMBJBSWXQQEIQK-UHFFFAOYSA-N
SMILES:
OB(c1cc2c(s1)c(ccc2)C(F)(F)F)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.013g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.01g/mol
Monoisotopic Mass:
246.013g/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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