| CAS Number | 923162-64-5 |
| Catalog Number | AG019PNM |
| Chemical Name | 3-(2-chloropropanoyl)-1-phenylurea |
| IUPAC Name | 2-chloro-N-(phenylcarbamoyl)propanamide |
| InChI | InChI=1S/C10H11ClN2O2/c1-7(11)9(14)13-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H2,12,13,14,15) |
| InChI Key | RJRZEHLMIFTDDK-UHFFFAOYSA-N |
| MDL Number | MFCD08444278 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | CC(C(NC(NC1=CC=CC=C1)=O)=O)Cl |
| Synonyms | 3-(2-chloropropanoyl)-1-phenylurea,
N-(anilinocarbonyl)-2-chloropropanamide,
923162-64-5,
AC1Q2AU7,
MFCD08444278,
1-(2-Chloropropionyl)-3-phenyl-urea,
AKOS009096499,
MCULE-6177612949,
NE25512,
2-chloro-N-(phenylcarbamoyl)propanamide,
UPCMLD0ENAT5584055:001,
NCGC00335129-01,
EN300-24501,
AB01327573-02,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 58.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number