| CAS Number | 1420290-99-8 |
| Catalog Number | AG00A18P(AGN-PC-0WNXJP) |
| Chemical Name | HJC0152 (hydrochloride) |
| IUPAC Name | 2-(2-aminoethoxy)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide;hydrochloride |
| InChI | InChI=1S/C15H13Cl2N3O4.ClH/c16-9-1-4-14(24-6-5-18)11(7-9)15(21)19-13-3-2-10(20(22)23)8-12(13)17;/h1-4,7-8H,5-6,18H2,(H,19,21);1H |
| InChI Key | XRZHLOYBZOONSZ-UHFFFAOYSA-N |
| MDL Number | MFCD29770804 |
| Molecular Formula | C15H14Cl3N3O4 |
| Molecular Weight | 406.6484 |
| SMILES | ClC1=C(NC(C2=C(OCCN)C=CC(Cl)=C2)=O)C=CC([N+]([O-])=O)=C1.Cl |
| Synonyms | HJC0152,
1420290-99-8,
HJC0152 hydrochloride,
C15H14Cl3N3O4,
CHEMBL2326734,
AOB4098,
SYN5141,
s8561,
CS-8171,
AS-16505,
HY-100602,
A16806,
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| Complexity | 449 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 405.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 406.644g/mol |
| Monoisotopic Mass | 405.005g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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