| CAS Number | 731011-93-1 |
| Catalog Number | AG00ICD1(AGN-PC-0WQYF6) |
| Chemical Name | 2-chloro-N-(4-fluoro-3-nitrophenyl)propanamide |
| IUPAC Name | 2-chloro-N-(4-fluoro-3-nitrophenyl)propanamide |
| InChI | InChI=1S/C9H8ClFN2O3/c1-5(10)9(14)12-6-2-3-7(11)8(4-6)13(15)16/h2-5H,1H3,(H,12,14) |
| InChI Key | ZIXQXLMDSBTRAE-UHFFFAOYSA-N |
| MDL Number | MFCD04626505 |
| Molecular Formula | C9H8ClFN2O3 |
| Molecular Weight | 246.6228 |
| SMILES | CC(C(NC1=CC([N+]([O-])=O)=C(F)C=C1)=O)Cl |
| Synonyms | 2-chloro-N-(4-fluoro-3-nitrophenyl)propanamide,
731011-93-1,
AC1NMYXY,
AC1Q2AW2,
CTK7F4288,
MFCD04626505,
AKOS008966991,
MCULE-2159982489,
NE12958,
EN300-08448,
SR-01000047887,
SR-01000047887-1,
ZINC03887331,
CID5018359,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.622g/mol |
| Monoisotopic Mass | 246.021g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number