| CAS Number | 887591-64-2 |
| Catalog Number | AG004BBZ(AGN-PC-033OVS) |
| Chemical Name | 3-(3-Nitrophenyl)isoxazol-5-amine |
| IUPAC Name | 3-(3-nitrophenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C9H7N3O3/c10-9-5-8(11-15-9)6-2-1-3-7(4-6)12(13)14/h1-5H,10H2 |
| InChI Key | NGNUZXQASHTALT-UHFFFAOYSA-N |
| MDL Number | MFCD07383079 |
| Molecular Formula | C9H7N3O3 |
| Molecular Weight | 205.1702 |
| SMILES | NC1=CC(C2=CC=CC([N+]([O-])=O)=C2)=NO1 |
| Synonyms | 3-(3-Nitrophenyl)isoxazol-5-amine,
887591-64-2,
3-(3-nitrophenyl)-1,2-oxazol-5-amine,
3-(3-NITRO-PHENYL)-ISOXAZOL-5-YLAMINE,
CTK5G1725,
DTXSID10610159,
4612AC,
MFCD07383079,
ZINC11851098,
5-Isoxazolamine,3-(3-nitrophenyl)-,
AKOS000261600,
DS-5701,
NE21845,
AJ-60275,
AK112566,
SC-59630,
Z1901071134,
C9H7N3O3,
3- -ISOXAZOL-5-YLAMINE,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.173g/mol |
| Monoisotopic Mass | 205.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H319
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Packing Group
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Precautionary statements
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P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number