200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 918413-80-6
918413-80-6 | Boronic acid, B-(2-cyano-5-formylphenyl)-
CAS No: 918413-80-6 Catalog No: AG006FAR MDL No:
Product Description
Catalog Number:
AG006FAR
Chemical Name:
Boronic acid, B-(2-cyano-5-formylphenyl)-
CAS Number:
918413-80-6
Molecular Formula:
C8H6BNO3
Molecular Weight:
174.9491
IUPAC Name:
(2-cyano-5-formylphenyl)boronic acid
InChI:
InChI=1S/C8H6BNO3/c10-4-7-2-1-6(5-11)3-8(7)9(12)13/h1-3,5,12-13H
InChI Key:
BVYVLTMIKIKMCJ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)B(O)O)C#N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.95g/mol
Monoisotopic Mass:
175.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.