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Home > Boronic Acids > 845872-49-3

845872-49-3

845872-49-3 | Boronic acid,B-benzo[b]thien-5-yl-

CAS No: 845872-49-3 Catalog No: AG004UE5 MDL No:MFCD06740319

Product Description

Catalog Number:
AG004UE5
Chemical Name:
Boronic acid,B-benzo[b]thien-5-yl-
CAS Number:
845872-49-3
Molecular Formula:
C8H7BO2S
Molecular Weight:
178.0160
MDL Number:
MFCD06740319
IUPAC Name:
1-benzothiophen-5-ylboronic acid
InChI:
InChI=1S/C8H7BO2S/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5,10-11H
InChI Key:
LVRZWFSXTOTWTH-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)ccs2)O

Properties

Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.026g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.012g/mol
Monoisotopic Mass:
178.026g/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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