| CAS Number | 16302-63-9 |
| Catalog Number | AG019ZAM(AGN-PC-0NJIX8) |
| Chemical Name | 3-chloro-5-nitro-1,2-benzoxazole |
| IUPAC Name | 3-chloro-5-nitro-1,2-benzoxazole |
| InChI | InChI=1S/C7H3ClN2O3/c8-7-5-3-4(10(11)12)1-2-6(5)13-9-7/h1-3H |
| InChI Key | MXCYFQHELALNNO-UHFFFAOYSA-N |
| MDL Number | MFCD26132308 |
| Molecular Formula | C7H3ClN2O3 |
| Molecular Weight | 198.5633 |
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=NO2)Cl |
| Synonyms | 16302-63-9,
3-Chloro-5-nitrobenzo[d]isoxazole,
1,2-Benzisoxazole, 3-chloro-5-nitro-,
SCHEMBL6593057,
MXCYFQHELALNNO-UHFFFAOYSA-N,
3-chloro-5-nitro-1,2-benzoxazole,
ZINC39250972,
3-Chloro-5-nitro-1,2-benzisoxazole,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.983g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.562g/mol |
| Monoisotopic Mass | 197.983g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number