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Home > Boronic Acids > 1104637-58-2
1104637-58-2 | 2-Pyridinylboronic acid MIDA ester
CAS No: 1104637-58-2 Catalog No: AG003HX7 MDL No:MFCD16621460
Product Description
Catalog Number:
AG003HX7
Chemical Name:
2-Pyridinylboronic acid MIDA ester
CAS Number:
1104637-58-2
Molecular Formula:
C10H11BN2O4
Molecular Weight:
234.0163
MDL Number:
MFCD16621460
IUPAC Name:
5-methyl-1-pyridin-2-yl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
InChI:
InChI=1S/C10H11BN2O4/c1-13-6-9(14)16-11(13,17-10(15)7-13)8-4-2-3-5-12-8/h2-5H,6-7H2,1H3
InChI Key:
JCMMQAGYOWKSFX-UHFFFAOYSA-N
SMILES:
O=C1C[N@+]2([B@-](O1)(OC(=O)C2)c1ccccn1)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.018g/mol
Monoisotopic Mass:
234.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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