| CAS Number | 1008670-87-8 |
| Catalog Number | AG00H9D3(AGN-PC-0WQYG2) |
| Chemical Name | 2-Phenyl-2-(thiophen-2-ylformamido)acetic acid |
| IUPAC Name | 2-phenyl-2-(thiophene-2-carbonylamino)acetic acid |
| InChI | InChI=1S/C13H11NO3S/c15-12(10-7-4-8-18-10)14-11(13(16)17)9-5-2-1-3-6-9/h1-8,11H,(H,14,15)(H,16,17) |
| InChI Key | JQDFNCZLEHZUNZ-UHFFFAOYSA-N |
| MDL Number | MFCD04971917 |
| Molecular Formula | C13H11NO3S |
| Molecular Weight | 261.2963 |
| SMILES | C1(=CC=CC=C1)C(C(=O)O)NC(=O)C=1SC=CC1 |
| Synonyms | phenyl[(thien-2-ylcarbonyl)amino]acetic acid,
1008670-87-8,
2-phenyl-2-(thiophen-2-ylformamido)acetic acid,
2-phenyl-2-(2-thienylcarbonylamino)acetic acid,
AC1MCJFZ,
AC1Q71SF,
2-phenyl-2-(thiophene-2-carbonylamino)acetic Acid,
CTK7F9838,
HMS1655P13,
MFCD04971917,
SBB004644,
STL229071,
AKOS000264477,
AKOS016128201,
MCULE-6910182303,
NE49284,
ST45178589,
EN300-26305,
phenyl[(thiophen-2-ylcarbonyl)amino]acetic acid,
CID2771101,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.295g/mol |
| Monoisotopic Mass | 261.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number