| CAS Number | 545364-03-2 |
| Catalog Number | AG00DI2X(AGN-PC-0WBPHE) |
| Chemical Name | N-(2-Bromophenyl)-3-chloropropanamide |
| IUPAC Name | N-(2-bromophenyl)-3-chloropropanamide |
| InChI | InChI=1S/C9H9BrClNO/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5-6H2,(H,12,13) |
| InChI Key | SKKXXDVNNYBJLK-UHFFFAOYSA-N |
| MDL Number | MFCD29924805 |
| Molecular Formula | C9H9BrClNO |
| Molecular Weight | 262.5309 |
| SMILES | ClCCC(NC1=C(Br)C=CC=C1)=O |
| Synonyms | N-(2-bromophenyl)-3-chloropropanamide,
545364-03-2,
AC1NOXBQ,
AC1Q3UFC,
CTK6H7358,
ALBB-018979,
ZINC6336808,
5359AE,
MFCD03386570,
AKOS000143380,
MCULE-6025929125,
NE12433,
propanamide, N-(2-bromophenyl)-3-chloro-,
DB-071868,
FT-0686812,
EN300-40913,
I01-7521,
C9H9BrClNO,
CID5095929,
N-(2-bromophenyl)-3-chloro-propanamide,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.531g/mol |
| Monoisotopic Mass | 260.956g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number