| CAS Number | 478249-19-3 |
| Catalog Number | AG00IRH0(AGN-PC-0WAXJN) |
| Chemical Name | 5-chloro-N-(4-chlorobenzyl)-2-nitrobenzenecarboxamide |
| IUPAC Name | 5-chloro-N-[(4-chlorophenyl)methyl]-2-nitrobenzamide |
| InChI | InChI=1S/C14H10Cl2N2O3/c15-10-3-1-9(2-4-10)8-17-14(19)12-7-11(16)5-6-13(12)18(20)21/h1-7H,8H2,(H,17,19) |
| InChI Key | GVYCQHLHHFWHNR-UHFFFAOYSA-N |
| MDL Number | MFCD02571482 |
| Molecular Formula | C14H10Cl2N2O3 |
| Molecular Weight | 325.1468 |
| SMILES | ClC1(=CC(=C([N+](=O)[O-])C=C1)C(=O)NCC2(=CC=C(Cl)C=C2)) |
| Synonyms | 478249-19-3,
5-chloro-N-(4-chlorobenzyl)-2-nitrobenzenecarboxamide,
5-chloro-N-[(4-chlorophenyl)methyl]-2-nitrobenzamide,
AC1LSJXC,
Oprea1_839633,
KS-000021KF,
ZINC1403961,
AKOS003865893,
MCULE-5117094241,
9R-0235,
ZINC01403961,
CID1489181,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.145g/mol |
| Monoisotopic Mass | 324.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number