200,000+ products from a single source!
sales@angenechem.com
Home > Boronic Acids > 117342-20-8
117342-20-8 | Benzoic acid, 3-borono-5-nitro-, 1-methyl ester
CAS No: 117342-20-8 Catalog No: AG000E5Q MDL No:MFCD02179469
Product Description
Catalog Number:
AG000E5Q
Chemical Name:
Benzoic acid, 3-borono-5-nitro-, 1-methyl ester
CAS Number:
117342-20-8
Molecular Formula:
C8H8BNO6
Molecular Weight:
224.9632
MDL Number:
MFCD02179469
IUPAC Name:
(3-methoxycarbonyl-5-nitrophenyl)boronic acid
InChI:
InChI=1S/C8H8BNO6/c1-16-8(11)5-2-6(9(12)13)4-7(3-5)10(14)15/h2-4,12-13H,1H3
InChI Key:
CDGIRLKQNJXHBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)[N+](=O)[O-])B(O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.963g/mol
Monoisotopic Mass:
225.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 3-Methoxycarbonyl-5-nitrophenyl boronic acid: high affinity diol recognition at neutral pH. | Bioorganic & medicinal chemistry letters 20040105 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.