| CAS Number | 68451-89-8 |
| Catalog Number | AG003SC5(AGN-PC-0OGKCD) |
| Chemical Name | N'-(4-Chlorobenzoyloxy)-4-nitrobenzimidamide |
| IUPAC Name | [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-chlorobenzoate |
| InChI | InChI=1S/C14H10ClN3O4/c15-11-5-1-10(2-6-11)14(19)22-17-13(16)9-3-7-12(8-4-9)18(20)21/h1-8H,(H2,16,17) |
| InChI Key | HNCUMRVHBCEURX-UHFFFAOYSA-N |
| MDL Number | MFCD00105784 |
| Molecular Formula | C14H10ClN3O4 |
| Molecular Weight | 319.6999 |
| SMILES | Clc1ccc(cc1)C(=O)O/N=C(/c1ccc(cc1)[N+](=O)[O-])N |
| Synonyms | (Z)-N'-(4-Chlorobenzoyloxy)-4-nitrobenzimidamide,
68451-89-8,
N'-(4-CHLOROBENZOYLOXY)-4-NITROBENZIMIDAMIDE,
C14H10ClN3O4,
J-502644,
ZINC4300062,
CCG-56335,
KM1202,
MFCD00105784,
AKOS003263304,
MCULE-8338106353,
RP00080,
TC-164262,
Y9817,
SR-01000645300-1,
I01-11547,
ZINC04300062,
CID9567297,
N-(4-Chlorobenzoyloxy)-4-nitrobenzimidamide,
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| Complexity | 436 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 319.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.701g/mol |
| Monoisotopic Mass | 319.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number