| CAS Number | 5319-43-7 |
| Catalog Number | AG00DW2L(AGN-PC-0WQYC0) |
| Chemical Name | 2-(3-Fluorophenylamino)acetic acid |
| IUPAC Name | 2-(3-fluoroanilino)acetic acid |
| InChI | InChI=1S/C8H8FNO2/c9-6-2-1-3-7(4-6)10-5-8(11)12/h1-4,10H,5H2,(H,11,12) |
| InChI Key | MUADOXKIIFHTSR-UHFFFAOYSA-N |
| MDL Number | MFCD10029158 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | OC(CNC1=CC(F)=CC=C1)=O |
| Synonyms | 5319-43-7,
2-((3-Fluorophenyl)amino)acetic acid,
2-(3-FLUOROPHENYLAMINO)ACETIC ACID,
2-[(3-fluorophenyl)amino]acetic acid,
SCHEMBL1430415,
CTK8J0631,
MUADOXKIIFHTSR-UHFFFAOYSA-N,
ZINC8730569,
MFCD10029158,
AKOS000101434,
MCULE-5946551254,
K-9651,
3-Fluorophenylglycine,
DL-3-FLUOROPHENYLGLYCINE,
7292-74-2,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.155g/mol |
| Monoisotopic Mass | 169.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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