| CAS Number | 54888-32-3 |
| Catalog Number | AG01A7LD(AGN-PC-0LAFM6) |
| Chemical Name | 4-bromo-N-(2,2-dichloroethenyl)benzamide |
| IUPAC Name | 4-bromo-N-(2,2-dichloroethenyl)benzamide |
| InChI | InChI=1S/C9H6BrCl2NO/c10-7-3-1-6(2-4-7)9(14)13-5-8(11)12/h1-5H,(H,13,14) |
| InChI Key | RDNLSDVDDUMNRC-UHFFFAOYSA-N |
| MDL Number | MFCD00521969 |
| Molecular Formula | C9H6BrCl2NO |
| Molecular Weight | 294.9600 |
| SMILES | Cl/C(/Cl)=C/NC(C1=CC=C(Br)C=C1)=O |
| Synonyms | 4-bromo-N-(2,2-dichloroethenyl)benzamide,
54888-32-3,
EN300-59065,
AC1NA8X4,
AC1Q3FV2,
CTK7F6922,
ZINC3109694,
AKOS003624224,
FCH1319393,
MCULE-4705618572,
NE44590,
N-(2,2-Dichloroethenyl)-4-bromobenzamide,
ST50980987,
N-(2,2-dichlorovinyl)(4-bromophenyl)carboxamide,
CID4397942,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.901g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.957g/mol |
| Monoisotopic Mass | 292.901g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number