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Home > Boronic Acids > 628692-15-9
628692-15-9 | Boronic acid, (2-methoxy-5-pyrimidinyl)-
CAS No: 628692-15-9 Catalog No: AG00IB3K MDL No:MFCD03094664
Product Description
Catalog Number:
AG00IB3K
Chemical Name:
Boronic acid, (2-methoxy-5-pyrimidinyl)-
CAS Number:
628692-15-9
Molecular Formula:
C5H7BN2O3
Molecular Weight:
153.9317
MDL Number:
MFCD03094664
IUPAC Name:
(2-methoxypyrimidin-5-yl)boronic acid
InChI:
InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
InChI Key:
YPWAJLGHACDYQS-UHFFFAOYSA-N
SMILES:
COc1ncc(cn1)B(O)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.055g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
153.932g/mol
Monoisotopic Mass:
154.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions. | Organic & biomolecular chemistry 20040321 |
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