| CAS Number | 1326814-89-4 |
| Catalog Number | AG00HSP7(AGN-PC-0WOQ40) |
| Chemical Name | 5-Chloro-7-nitro-1,3-benzoxazol-2-amine |
| IUPAC Name | 5-chloro-7-nitro-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C7H4ClN3O3/c8-3-1-4-6(14-7(9)10-4)5(2-3)11(12)13/h1-2H,(H2,9,10) |
| InChI Key | HIBJGONRFGFVHY-UHFFFAOYSA-N |
| MDL Number | MFCD19707039 |
| Molecular Formula | C7H4ClN3O3 |
| Molecular Weight | 213.5780 |
| SMILES | NC1OC2=C(C=C(C=C2[N+]([O-])=O)Cl)N=1 |
| Synonyms | 5-Chloro-7-nitro-1,3-benzoxazol-2-amine,
1326814-89-4,
2-Amino-5-chloro-7-nitrobenzoxazole,
5-Chloro-7-nitrobenzo[d]oxazol-2-amine,
KS-00001OP9,
MFCD19707039,
ZINC71981121,
AKOS025122381,
SY130067,
MFCD19707039 (95%),
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.577g/mol |
| Monoisotopic Mass | 212.994g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 97.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number