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Home > Boronic Acids > 331833-83-1
331833-83-1 | (5-CYANO-1-BENZOFURAN-2-YL)BORONIC ACID
CAS No: 331833-83-1 Catalog No: AG00CLLN MDL No:MFCD18383022
Product Description
Catalog Number:
AG00CLLN
Chemical Name:
(5-CYANO-1-BENZOFURAN-2-YL)BORONIC ACID
CAS Number:
331833-83-1
Molecular Formula:
C9H6BNO3
Molecular Weight:
186.9598
MDL Number:
MFCD18383022
IUPAC Name:
(5-cyano-1-benzofuran-2-yl)boronic acid
InChI:
InChI=1S/C9H6BNO3/c11-5-6-1-2-8-7(3-6)4-9(14-8)10(12)13/h1-4,12-13H
InChI Key:
MXLRCFQFPPZZOR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cc(o2)B(O)O
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.961g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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