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Home > Boronic Acids > 1000269-51-1
1000269-51-1 | 2-Pyridinecarboxylic acid, 5-borono-, 2-(phenylmethyl) ester
CAS No: 1000269-51-1 Catalog No: AG0000BX MDL No:
Product Description
Catalog Number:
AG0000BX
Chemical Name:
2-Pyridinecarboxylic acid, 5-borono-, 2-(phenylmethyl) ester
CAS Number:
1000269-51-1
Molecular Formula:
C13H12BNO4
Molecular Weight:
257.0497
IUPAC Name:
(6-phenylmethoxycarbonylpyridin-3-yl)boronic acid
InChI:
InChI=1S/C13H12BNO4/c16-13(19-9-10-4-2-1-3-5-10)12-7-6-11(8-15-12)14(17)18/h1-8,17-18H,9H2
InChI Key:
ZJFHFVUWFKEFTI-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cn1)B(O)O)OCc1ccccc1
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.086g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.052g/mol
Monoisotopic Mass:
257.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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