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Home > Boronic Acids > 1065185-02-5
1065185-02-5 | 5-(Cyanomethyl)thiophen-3-ylboronic acid
CAS No: 1065185-02-5 Catalog No: AG00HAUC MDL No:
Product Description
Catalog Number:
AG00HAUC
Chemical Name:
5-(Cyanomethyl)thiophen-3-ylboronic acid
CAS Number:
1065185-02-5
IUPAC Name:
[5-(cyanomethyl)thiophen-3-yl]boronic acid
InChI:
InChI=1S/C6H6BNO2S/c8-2-1-6-3-5(4-11-6)7(9)10/h3-4,9-10H,1H2
InChI Key:
XEXQGVOXHWCUGN-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.021g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
166.989g/mol
Monoisotopic Mass:
167.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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