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Home > Boronic Acids > 1142946-81-3
1142946-81-3 | Boronic acid, B-(5-cyanobenzo[b]thien-2-yl)-
CAS No: 1142946-81-3 Catalog No: AG000AZV MDL No:MFCD15143421
Product Description
Catalog Number:
AG000AZV
Chemical Name:
Boronic acid, B-(5-cyanobenzo[b]thien-2-yl)-
CAS Number:
1142946-81-3
Molecular Formula:
C9H6BNO2S
Molecular Weight:
203.0254
MDL Number:
MFCD15143421
IUPAC Name:
(5-cyano-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C9H6BNO2S/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H
InChI Key:
DTOVRGIPWXMORK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc(s2)B(O)O
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.022g/mol
Monoisotopic Mass:
203.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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