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1340599-84-9

1340599-84-9 | [5-(propan-2-yl)-1-benzothiophen-2-yl]boronic acid

CAS No: 1340599-84-9 Catalog No: AG01A8HB MDL No:MFCD16699453

Product Description

Catalog Number:
AG01A8HB
Chemical Name:
[5-(propan-2-yl)-1-benzothiophen-2-yl]boronic acid
CAS Number:
1340599-84-9
Molecular Formula:
C11H13BO2S
Molecular Weight:
220.0957
MDL Number:
MFCD16699453
IUPAC Name:
(5-propan-2-yl-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C11H13BO2S/c1-7(2)8-3-4-10-9(5-8)6-11(15-10)12(13)14/h3-7,13-14H,1-2H3
InChI Key:
YYIBNLRWBLXQRR-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)cc(s2)B(O)O)C

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.073g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
220.093g/mol
Monoisotopic Mass:
220.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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