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Home > Boronic Acids > 1065184-99-7
1065184-99-7 | (5-cyanothiophen-3-yl)boronic acid
CAS No: 1065184-99-7 Catalog No: AG01BA1N MDL No:MFCD18383130
Product Description
Catalog Number:
AG01BA1N
Chemical Name:
(5-cyanothiophen-3-yl)boronic acid
CAS Number:
1065184-99-7
Molecular Formula:
C5H4BNO2S
Molecular Weight:
152.9668
MDL Number:
MFCD18383130
IUPAC Name:
(5-cyanothiophen-3-yl)boronic acid
InChI:
InChI=1S/C5H4BNO2S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,8-9H
InChI Key:
GZCHKOFLMCIZOU-UHFFFAOYSA-N
SMILES:
N#Cc1scc(c1)B(O)O
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.962g/mol
Monoisotopic Mass:
153.006g/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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