200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 867333-43-5
867333-43-5 | (5-Cyano-2-methylphenyl)boronic acid
CAS No: 867333-43-5 Catalog No: AG0036CV MDL No:MFCD17015778
Product Description
Catalog Number:
AG0036CV
Chemical Name:
(5-Cyano-2-methylphenyl)boronic acid
CAS Number:
867333-43-5
Molecular Formula:
C8H8BNO2
Molecular Weight:
160.9656
MDL Number:
MFCD17015778
IUPAC Name:
(5-cyano-2-methylphenyl)boronic acid
InChI:
InChI=1S/C8H8BNO2/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,11-12H,1H3
InChI Key:
IPDZHWUWADJUMR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)B(O)O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.065g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.967g/mol
Monoisotopic Mass:
161.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
© 2019 Angene International Limited. All rights Reserved.