| CAS Number | 780813-06-1 |
| Catalog Number | AG00G3J7(AGN-PC-0WB4P4) |
| Chemical Name | [2-(4-bromophenyl)-5-oxocyclopent-1-en-1-yl]acetic acid |
| IUPAC Name | 2-[2-(4-bromophenyl)-5-oxocyclopenten-1-yl]acetic acid |
| InChI | InChI=1S/C13H11BrO3/c14-9-3-1-8(2-4-9)10-5-6-12(15)11(10)7-13(16)17/h1-4H,5-7H2,(H,16,17) |
| InChI Key | CMKICRQKPIPRJE-UHFFFAOYSA-N |
| MDL Number | MFCD03763148 |
| Molecular Formula | C13H11BrO3 |
| Molecular Weight | 295.1286 |
| SMILES | C1(CC(O)=O)C(=O)CCC=1C1C=CC(=CC=1)Br |
| Synonyms | 780813-06-1,
CHEMBRDG-BB 6843233,
[2-(4-bromophenyl)-5-oxocyclopent-1-en-1-yl]acetic acid,
AC1LP16J,
ZINC5633884,
ZX-CM017037,
MFCD03763148,
STK278433,
AKOS005426466,
MCULE-2065040761,
AJ-54439,
Y-0820,
[2-(4-Bromophenyl)-5-oxo-1-cyclopenten-1-yl]acetic acid,
2-[2-(4-bromophenyl)-5-oxocyclopenten-1-yl]acetic acid,
2-(2-(4-Bromophenyl)-5-oxocyclopent-1-en-1-yl)acetic acid,
CHEMBRDG-BB6843233,
CID1278414,
2-[2-(4-bromophenyl)-5-oxo-1-cyclopentenyl]acetic Acid,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.132g/mol |
| Monoisotopic Mass | 293.989g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number