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Home > Boronic Acids > 860617-72-7
860617-72-7 | (5-cyano-3-methylthiophen-2-yl)boronic acid
CAS No: 860617-72-7 Catalog No: AG00IDW0 MDL No:MFCD09952058
Product Description
Catalog Number:
AG00IDW0
Chemical Name:
(5-cyano-3-methylthiophen-2-yl)boronic acid
CAS Number:
860617-72-7
Molecular Formula:
C6H6BNO2S
Molecular Weight:
166.9933
MDL Number:
MFCD09952058
IUPAC Name:
(5-cyano-3-methylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C6H6BNO2S/c1-4-2-5(3-8)11-6(4)7(9)10/h2,9-10H,1H3
InChI Key:
JSKHWBGKKFXSFX-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c(s1)B(O)O)C
Properties
Complexity:
190
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:
1
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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