| CAS Number | 1341040-36-5 |
| Catalog Number | AG00HT81(AGN-PC-0WD6GO) |
| Chemical Name | 3-(4-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one hydrochloride |
| EC Number | 917-912-8 |
| IUPAC Name | 3-(4-aminophenyl)-4H-1,2,4-oxadiazol-5-one;hydrochloride |
| InChI | InChI=1S/C8H7N3O2.ClH/c9-6-3-1-5(2-4-6)7-10-8(12)13-11-7;/h1-4H,9H2,(H,10,11,12);1H |
| InChI Key | RNTIZSYBHJFZRP-UHFFFAOYSA-N |
| MDL Number | MFCD16295161 |
| Molecular Formula | C8H8ClN3O2 |
| Molecular Weight | 213.6210 |
| SMILES | O=C1NC(C2=CC=C(N)C=C2)=NO1.[H]Cl |
| Synonyms | 3-(4-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one hydrochloride,
1341040-36-5,
864680-71-7,
3-(4-aminophenyl)-1,2,4-oxadiazol-5(4H)-one-HCl,
1,2,4-Oxadiazol-5(2H)-one,3-(4-aminophenyl)-,
SCHEMBL12803102,
RNTIZSYBHJFZRP-UHFFFAOYSA-N,
MFCD16295161,
AKOS015924335,
S-1235,
3-(4-aminophenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one hydrochloride,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.621g/mol |
| Monoisotopic Mass | 213.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number