| CAS Number | 847781-96-8 |
| Catalog Number | AG019OCU(AGN-PC-0WOQF6) |
| Chemical Name | (([1-(5-Bromothien-2-yl)ethylidene]amino)oxy)acetic acid |
| IUPAC Name | 2-[1-(5-bromothiophen-2-yl)ethylideneamino]oxyacetic acid |
| InChI | InChI=1S/C8H8BrNO3S/c1-5(10-13-4-8(11)12)6-2-3-7(9)14-6/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | FXIPDCZHJVTWHX-UHFFFAOYSA-N |
| MDL Number | MFCD19596077 |
| Molecular Formula | C8H8BrNO3S |
| Molecular Weight | 278.1230 |
| SMILES | CC(C1SC(Br)=CC=1)=NOCC(O)=O |
| Synonyms | 847781-96-8,
2-({[1-(5-bromothiophen-2-yl)ethylidene]amino}oxy)acetic acid,
AC1NLQRA,
CTK5J1153,
CTK5J9094,
2-[1-(5-bromothiophen-2-yl)ethylideneamino]oxyacetic Acid,
AKOS017276488,
ZINC252447097,
MCULE-5535027976,
Z96092031,
({[(1E)-1-(5-BROMOTHIEN-2-YL)ETHYLIDENE]AMINO}OXY)ACETIC ACID,
CID4962518,
({[1-(5-bromothien-2-yl)ethylidene]amino}oxy)acetic acid,
Acetic acid, 2-[[[1-(5-bromo-2-thienyl)ethylidene]amino]oxy],
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.12g/mol |
| Monoisotopic Mass | 276.941g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number