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Home > Boronic Acids > 1119899-37-4
1119899-37-4 | 7-cyanobenzo[b]thiophen-2-ylboronic acid
CAS No: 1119899-37-4 Catalog No: AG008TVK MDL No:MFCD16877453
Product Description
Catalog Number:
AG008TVK
Chemical Name:
7-cyanobenzo[b]thiophen-2-ylboronic acid
CAS Number:
1119899-37-4
Molecular Formula:
C9H6BNO2S
Molecular Weight:
203.0254
MDL Number:
MFCD16877453
IUPAC Name:
(7-cyano-1-benzothiophen-2-yl)boronic acid
InChI:
InChI=1S/C9H6BNO2S/c11-5-7-3-1-2-6-4-8(10(12)13)14-9(6)7/h1-4,12-13H
InChI Key:
AKOHCYHBCAFLGM-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1sc(c2)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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