| CAS Number | 1214323-94-0 |
| Catalog Number | AG007Q84(AGN-PC-09RPNE) |
| Chemical Name | 2-(5-chloro-3-fluoropyridin-2-yl)acetic acid |
| IUPAC Name | 2-(5-chloro-3-fluoropyridin-2-yl)acetic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-4-1-5(9)6(10-3-4)2-7(11)12/h1,3H,2H2,(H,11,12) |
| InChI Key | LRZZWXBVJOCXJS-UHFFFAOYSA-N |
| MDL Number | MFCD13194517 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | O=C(O)CC1=NC=C(Cl)C=C1F |
| Synonyms | 2-(5-CHLORO-3-FLUOROPYRIDIN-2-YL)ACETIC ACID,
1214323-94-0,
(5-Chloro-3-fluoro-2-pyridinyl)acetic acid,
ACMC-209aa8,
SCHEMBL4528011,
CTK8A9445,
DTXSID90695525,
ANW-17598,
MFCD13194517,
ZINC77031919,
AKOS015893142,
AJ-122540,
TC-106343,
(5-Chloro-3-fluoropyridin-2-yl)acetic acid,
ST24021800,
Z8302,
I04-2597,
C7H5ClFNO2,
2-(5-Chloro-3-fluoropyridin-2-yl)aceticacid,
A-3309,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number