| CAS Number | 23464-94-0 |
| Catalog Number | AG002NBT(AGN-PC-00UXLD) |
| Chemical Name | 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid |
| IUPAC Name | 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid |
| InChI | InChI=1S/C12H10FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16) |
| InChI Key | XCFZOPRHLRLVDB-UHFFFAOYSA-N |
| MDL Number | MFCD08691301 |
| Molecular Formula | C12H10FNO3 |
| Molecular Weight | 235.2111 |
| SMILES | OC(CCC1OC(C2=CC=C(F)C=C2)=CN=1)=O |
| Synonyms | 23464-94-0,
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid,
3-(5-(4-Fluorophenyl)oxazol-2-yl)propanoic acid,
AC1Q75A6,
CTK1A1197,
DTXSID80585426,
ZINC49786156,
AKOS000200224,
MCULE-7224420453,
NE44017,
2-Oxazolepropanoicacid, 5-(4-fluorophenyl)-,
EN300-26340,
2-Oxazolepropanoic acid, 5-(4-fluorophenyl)-,
AB00762373-01,
Z223042458,
3-[5- -1,3-OXAZOL-2-YL]PROPANOICACID,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.214g/mol |
| Monoisotopic Mass | 235.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number