| CAS Number | 1280786-92-6 |
| Catalog Number | AG000XSA(AGN-PC-0WNQP6) |
| Chemical Name | 1-(3-Bromo-4-chlorophenyl)pentan-1-one |
| IUPAC Name | 1-(3-bromo-4-chlorophenyl)pentan-1-one |
| InChI | InChI=1S/C11H12BrClO/c1-2-3-4-11(14)8-5-6-10(13)9(12)7-8/h5-7H,2-4H2,1H3 |
| InChI Key | NXNAFGXGZHYVRW-UHFFFAOYSA-N |
| MDL Number | MFCD18783206 |
| Molecular Formula | C11H12BrClO |
| Molecular Weight | 275.5694 |
| SMILES | CCCCC(=O)c1ccc(c(c1)Br)Cl |
| Synonyms | 1-(3-Bromo-4-chlorophenyl)pentan-1-one,
1280786-92-6,
ACMC-209bef,
CTK8A9988,
DTXSID60682503,
ANW-19045,
MFCD18783206,
ZINC65337596,
AKOS015908247,
BBV-40219035,
AJ-115258,
AX8240394,
TC-107790,
1-Pentanone, 1-(3-bromo-4-chlorophenyl)-,
Z9417,
A-3209,
I14-24636,
C11H12BrClO,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.57g/mol |
| Monoisotopic Mass | 273.976g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number