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Home > Boronic Acids > 1119899-50-1
1119899-50-1 | (5-Cyano-4-methylthiophen-2-yl)boronic acid
CAS No: 1119899-50-1 Catalog No: AG003BXX MDL No:MFCD12546494
Product Description
Catalog Number:
AG003BXX
Chemical Name:
(5-Cyano-4-methylthiophen-2-yl)boronic acid
CAS Number:
1119899-50-1
Molecular Formula:
C6H6BNO2S
Molecular Weight:
166.9933
MDL Number:
MFCD12546494
IUPAC Name:
(5-cyano-4-methylthiophen-2-yl)boronic acid
InChI:
InChI=1S/C6H6BNO2S/c1-4-2-6(7(9)10)11-5(4)3-8/h2,9-10H,1H3
InChI Key:
GTCXNUVYZCKGCH-UHFFFAOYSA-N
SMILES:
N#Cc1sc(cc1C)B(O)O
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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