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14001-66-2 | Pyrimidine, 5-bromo-2-methoxy-
CAS No: 14001-66-2 Catalog No: AG001BXS MDL No:MFCD04973351
Product Description
Catalog Number:
AG001BXS
Chemical Name:
Pyrimidine, 5-bromo-2-methoxy-
CAS Number:
14001-66-2
Molecular Formula:
C5H5BrN2O
Molecular Weight:
189.0100
MDL Number:
MFCD04973351
IUPAC Name:
5-bromo-2-methoxypyrimidine
InChI:
InChI=1S/C5H5BrN2O/c1-9-5-7-2-4(6)3-8-5/h2-3H,1H3
InChI Key:
DWVCZDMMGYIULX-UHFFFAOYSA-N
SMILES:
COc1ncc(cn1)Br
Properties
Complexity:
83
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.959g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.012g/mol
Monoisotopic Mass:
187.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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