| CAS Number | 917023-05-3 |
| Catalog Number | AG00IGUG(AGN-PC-0BU0WQ) |
| Chemical Name | Ethyl 2-(2-bromopyrimidin-5-yl)acetate |
| IUPAC Name | ethyl 2-(2-bromopyrimidin-5-yl)acetate |
| InChI | InChI=1S/C8H9BrN2O2/c1-2-13-7(12)3-6-4-10-8(9)11-5-6/h4-5H,2-3H2,1H3 |
| InChI Key | LFTXMVSYXVYZTC-UHFFFAOYSA-N |
| MDL Number | MFCD28502583 |
| Molecular Formula | C8H9BrN2O2 |
| Molecular Weight | 245.0733 |
| SMILES | CCOC(=O)Cc1cnc(nc1)Br |
| Synonyms | ethyl 2-(2-bromopyrimidin-5-yl)acetate,
917023-05-3,
SCHEMBL1525074,
LFTXMVSYXVYZTC-UHFFFAOYSA-N,
Ethyl 2-bromopyrimidine-5-acetate,
MFCD28502583,
ZINC116435155,
SB23026,
KS-0000080G,
AK171760,
AS-52423,
2-bromopyrimidine-5-acetic acid ethyl ester,
CS-0049542,
5-Pyrimidineacetic acid, 2-bromo-, ethyl ester,
(2-bromo-pyrimidin-5-yl)-acetic Acid Ethyl Ester,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.076g/mol |
| Monoisotopic Mass | 243.985g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number