| CAS Number | 1249861-27-5 |
| Catalog Number | AG00HHV9(AGN-PC-0WRACE) |
| Chemical Name | 3-Bromo-2-(cyclopropylmethoxy)pyridine |
| IUPAC Name | 3-bromo-2-(cyclopropylmethoxy)pyridine |
| InChI | InChI=1S/C9H10BrNO/c10-8-2-1-5-11-9(8)12-6-7-3-4-7/h1-2,5,7H,3-4,6H2 |
| InChI Key | RAPPABSFXUIOHQ-UHFFFAOYSA-N |
| MDL Number | MFCD14651785 |
| Molecular Formula | C9H10BrNO |
| Molecular Weight | 228.0858 |
| SMILES | BrC=1C(=NC=CC1)OCC1CC1 |
| Synonyms | 3-bromo-2-(cyclopropylmethoxy)pyridine,
1249861-27-5,
ZINC42376444,
AKOS010632027,
Z2509351286,
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| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.089g/mol |
| Monoisotopic Mass | 226.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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