| CAS Number | 872277-46-8 |
| Catalog Number | AG00H35C(AGN-PC-015XQG) |
| Chemical Name | 2-(5-Bromo-2-oxopyridin-1(2H)-yl)acetic acid |
| IUPAC Name | 2-(5-bromo-2-oxopyridin-1-yl)acetic acid |
| InChI | InChI=1S/C7H6BrNO3/c8-5-1-2-6(10)9(3-5)4-7(11)12/h1-3H,4H2,(H,11,12) |
| InChI Key | XQGZLHVWYFHNLH-UHFFFAOYSA-N |
| MDL Number | MFCD09051292 |
| Molecular Formula | C7H6BrNO3 |
| Molecular Weight | 232.0314 |
| SMILES | OC(CN1C(=O)C=CC(Br)=C1)=O |
| Synonyms | 2-(5-Bromo-2-oxopyridin-1(2H)-yl)acetic acid,
872277-46-8,
(5-bromo-2-oxopyridin-1(2H)-yl)acetic acid,
(5-Bromo-2-oxo-2H-pyridin-1-yl)-acetic acid,
2-(5-bromo-2-oxo-1,2-dihydropyridin-1-yl)acetic acid,
SCHEMBL4893880,
CTK7J4946,
XQGZLHVWYFHNLH-UHFFFAOYSA-N,
8828AH,
ZINC20283716,
AKOS000134695,
MCULE-5410875151,
5-Bromo-2-oxo-1(2H)-pyridineacetic acid,
CS-0101534,
EN300-36591,
Z-5611,
Z360010094,
C7H6BrNO3,
AC1Q75U5,
AJ-76905,
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| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.95311g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.03g/mol |
| Monoisotopic Mass | 230.95311g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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