| CAS Number | 96898-75-8 |
| Catalog Number | AG006OI6(AGN-PC-0OOHSG) |
| Chemical Name | 4-Chloro-N'-hydroxy-3-nitrobenzimidamide |
| IUPAC Name | 4-chloro-N'-hydroxy-3-nitrobenzenecarboximidamide |
| InChI | InChI=1S/C7H6ClN3O3/c8-5-2-1-4(7(9)10-12)3-6(5)11(13)14/h1-3,12H,(H2,9,10) |
| InChI Key | IXTZBWZQCKMKJC-UHFFFAOYSA-N |
| MDL Number | MFCD08436188 |
| Molecular Formula | C7H6ClN3O3 |
| Molecular Weight | 215.5938 |
| SMILES | N/C(C1=CC=C(Cl)C([N+]([O-])=O)=C1)=NO |
| Synonyms | 96898-75-8,
4-Chloro-3-nitrobenzamide oxime,
4-chloro-n-hydroxy-3-nitro-benzamidine,
4-Chloro-N'-hydroxy-3-nitrobenzimidamide,
4-Chloro-3-nitrobenzamideoxime,
SCHEMBL4402565,
SCHEMBL8280952,
DTXSID50619020,
MFCD08436188,
AS-37268,
SC-56324,
AX8038017,
(Z)-4-chloro-N'-hydroxy-3-nitrobenzamidine,
A13425,
X-3917,
4-Chloro-N-hydroxy-3-nitrobenzenecarboximidamide,
4-chloro-N'-hydroxy-3-nitrobenzenecarboximidamide,
4-Chloro-N'-hydroxy-3-nitrobenzene-1-carboximidamide,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 215.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.593g/mol |
| Monoisotopic Mass | 215.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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