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Home > Boronic Acids > 196861-33-3
196861-33-3 | (2-Methoxy-5-(pyridin-4-yl)phenyl)boronic acid
CAS No: 196861-33-3 Catalog No: AG007R3G MDL No:MFCD06658467
Product Description
Catalog Number:
AG007R3G
Chemical Name:
(2-Methoxy-5-(pyridin-4-yl)phenyl)boronic acid
CAS Number:
196861-33-3
Molecular Formula:
C12H12BNO3
Molecular Weight:
229.0396
MDL Number:
MFCD06658467
IUPAC Name:
(2-methoxy-5-pyridin-4-ylphenyl)boronic acid
InChI:
InChI=1S/C12H12BNO3/c1-17-12-3-2-10(8-11(12)13(15)16)9-4-6-14-7-5-9/h2-8,15-16H,1H3
InChI Key:
QLNYKODXAPVKKX-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1B(O)O)c1ccncc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.091g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.042g/mol
Monoisotopic Mass:
229.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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