| CAS Number | 1476795-98-8 |
| Catalog Number | AG001F31(AGN-PC-0WAKJC) |
| Chemical Name | Pyrimidine, 5-bromo-2-(methoxymethyl)- |
| IUPAC Name | 5-bromo-2-(methoxymethyl)pyrimidine |
| InChI | InChI=1S/C6H7BrN2O/c1-10-4-6-8-2-5(7)3-9-6/h2-3H,4H2,1H3 |
| InChI Key | HBFDTJFYQNXSOG-UHFFFAOYSA-N |
| MDL Number | MFCD28501955 |
| Molecular Formula | C6H7BrN2O |
| Molecular Weight | 203.0366 |
| SMILES | COCC1=NC=C(Br)C=N1 |
| Synonyms | 5-Bromo-2-(methoxymethyl)pyrimidine,
1476795-98-8,
Pyrimidine, 5-bromo-2-(methoxymethyl)-,
SCHEMBL15360007,
HBFDTJFYQNXSOG-UHFFFAOYSA-N,
KS-000005ZH,
MFCD28501955,
AKOS027252163,
ZINC144024379,
SB15868,
AS-52354,
CS-0050636,
A1-10226,
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| Complexity | 93.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.039g/mol |
| Monoisotopic Mass | 201.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number