| CAS Number | 1016705-13-7 |
| Catalog Number | AG019W23(AGN-PC-0WOWFD) |
| Chemical Name | 2-[(5-Bromothiophen-2-yl)-n-methylformamido]acetic acid |
| IUPAC Name | 2-[(5-bromothiophene-2-carbonyl)-methylamino]acetic acid |
| InChI | InChI=1S/C8H8BrNO3S/c1-10(4-7(11)12)8(13)5-2-3-6(9)14-5/h2-3H,4H2,1H3,(H,11,12) |
| InChI Key | RJFITWAKMVXQIU-UHFFFAOYSA-N |
| MDL Number | MFCD09814812 |
| Molecular Formula | C8H8BrNO3S |
| Molecular Weight | 278.1230 |
| SMILES | CN(C(C1SC(Br)=CC=1)=O)CC(O)=O |
| Synonyms | 2-[1-(5-bromothiophen-2-yl)-N-methylformamido]acetic acid,
1016705-13-7,
2-[(5-bromothiophen-2-yl)-N-methylformamido]acetic acid,
AC1Q3X9J,
CTK6H9028,
ZINC19395190,
AKOS000157987,
MCULE-2125564450,
NE14515,
EN300-50238,
Z85895577,
|
| Complexity | 249 |
| 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 | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.12g/mol |
| Monoisotopic Mass | 276.941g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number