| CAS Number | 54606-18-7 |
| Catalog Number | AG00DTE3(AGN-PC-0KVEKI) |
| Chemical Name | 3-(4-ETHOXY-PHENYL)-ISOXAZOL-5-YLAMINE |
| IUPAC Name | 3-(4-ethoxyphenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C11H12N2O2/c1-2-14-9-5-3-8(4-6-9)10-7-11(12)15-13-10/h3-7H,2,12H2,1H3 |
| InChI Key | CAKAHMMAKBQYJO-UHFFFAOYSA-N |
| MDL Number | MFCD07382889 |
| Molecular Formula | C11H12N2O2 |
| Molecular Weight | 204.2252 |
| SMILES | CCOC1=CC=C(C=C1)C2=NOC(=C2)N |
| Synonyms | 54606-18-7,
3-(4-ETHOXY-PHENYL)-ISOXAZOL-5-YLAMINE,
3-(4-ethoxyphenyl)-1,2-oxazol-5-amine,
3-(4-Ethoxyphenyl)isoxazol-5-amine,
AC1MRQP0,
AC1Q36G5,
CTK5A1878,
DTXSID60393046,
ZINC3704524,
MFCD07382889,
3-(4-ethoxyphenyl)isoxazol-5-ylamine,
AKOS000262149,
NE56608,
KS-00001A52,
AM805986,
SC-59626,
EN300-69327,
CID3497131,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.229g/mol |
| Monoisotopic Mass | 204.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number