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Home > Boronic Acids > 1793003-62-9
1793003-62-9 | 2-(3-Methylphenoxy)pyridine-5-boronic acid
CAS No: 1793003-62-9 Catalog No: AG00HZXU MDL No:MFCD22375021
Product Description
Catalog Number:
AG00HZXU
Chemical Name:
2-(3-Methylphenoxy)pyridine-5-boronic acid
CAS Number:
1793003-62-9
Molecular Formula:
C12H12BNO3
Molecular Weight:
229.0396
MDL Number:
MFCD22375021
IUPAC Name:
[6-(3-methylphenoxy)pyridin-3-yl]boronic acid
InChI:
InChI=1S/C12H12BNO3/c1-9-3-2-4-11(7-9)17-12-6-5-10(8-14-12)13(15)16/h2-8,15-16H,1H3
InChI Key:
PDBLSVZYYLJCIH-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)Oc1ccc(cn1)B(O)O
Properties
Complexity:
240
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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