| CAS Number | 804505-18-8 |
| Catalog Number | AG00ID4D |
| Chemical Name | 2-(2-Chloro-4-nitrophenoxy)acetamide |
| IUPAC Name | 2-(2-chloro-4-nitrophenoxy)acetamide |
| InChI | InChI=1S/C8H7ClN2O4/c9-6-3-5(11(13)14)1-2-7(6)15-4-8(10)12/h1-3H,4H2,(H2,10,12) |
| InChI Key | KECLWJHPOYLZHY-UHFFFAOYSA-N |
| MDL Number | MFCD05344806 |
| Molecular Formula | C8H7ClN2O4 |
| Molecular Weight | 230.6052 |
| SMILES | NC(=O)COC1=C(Cl)C=C(C=C1)[N+]([O-])=O |
| Synonyms | 2-(2-chloro-4-nitrophenoxy)acetamide,
804505-18-8,
AC1MS2OI,
CTK7D3365,
DTXSID30393573,
ZINC6062446,
AR3689,
MFCD05344806,
AKOS008351797,
AS-45664,
ZINC06062446,
CID3552656,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.604g/mol |
| Monoisotopic Mass | 230.009g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 98.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number