| CAS Number | 1086397-52-5 |
| Catalog Number | AG00HB7P(AGN-PC-0WQYFE) |
| Chemical Name | Methyl 2-(5-bromopyrimidin-2-yloxy)benzoate |
| IUPAC Name | methyl 2-(5-bromopyrimidin-2-yl)oxybenzoate |
| InChI | InChI=1S/C12H9BrN2O3/c1-17-11(16)9-4-2-3-5-10(9)18-12-14-6-8(13)7-15-12/h2-7H,1H3 |
| InChI Key | WWAVMSQVOMOCQM-UHFFFAOYSA-N |
| MDL Number | MFCD11501086 |
| Molecular Formula | C12H9BrN2O3 |
| Molecular Weight | 309.1155 |
| SMILES | O=C(OC)C1=CC=CC=C1OC2=NC=C(Br)C=N2 |
| Synonyms | METHYL 2-(5-BROMOPYRIMIDIN-2-YLOXY)BENZOATE,
1086397-52-5,
2-(5-bromopyrimidin-2-yloxy)benzoic acid methyl ester,
2-(5-bromo-pyrimidin-2-yloxy)-benzoic acid methyl ester,
SCHEMBL4085546,
DTXSID90695146,
WWAVMSQVOMOCQM-UHFFFAOYSA-N,
MFCD11501086,
ZINC44137185,
AS-31375,
A-1987,
Methyl 2-[(5-bromopyrimidin-2-yl)oxy]benzoate,
2-(5-bromopyrimidin-2-yloxy)-benzoic acid methyl ester,
2-[(5-Bromopyrimidine-2-yl)oxy]benzoic acid methyl ester,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.119g/mol |
| Monoisotopic Mass | 307.98g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number