| CAS Number | 1382486-27-2 |
| Catalog Number | AG00HV8V(AGN-PC-0WG37J) |
| Chemical Name | 1-(5-Bromopyridin-2-YL)cyclobutanecarboxylic acid |
| IUPAC Name | 1-(5-bromopyridin-2-yl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C10H10BrNO2/c11-7-2-3-8(12-6-7)10(9(13)14)4-1-5-10/h2-3,6H,1,4-5H2,(H,13,14) |
| InChI Key | OALBQEKDAYWCPU-UHFFFAOYSA-N |
| MDL Number | MFCD26406829 |
| Molecular Formula | C10H10BrNO2 |
| Molecular Weight | 256.0959 |
| SMILES | Brc1ccc(nc1)C1(CCC1)C(=O)O |
| Synonyms | 1-(5-BROMOPYRIDIN-2-YL)CYCLOBUTANECARBOXYLIC ACID,
1382486-27-2,
1-(5-bromopyridin-2-yl)cyclobutane-1-carboxylic acid,
SCHEMBL9936063,
KS-00000LBZ,
MFCD26406829,
ZINC95831193,
AK332921,
DS-12151,
X-2768,
1-(5-Bromo-2-pyridinyl)cyclobutanecarboxylic acid, AldrichCPR,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.099g/mol |
| Monoisotopic Mass | 254.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number