| CAS Number | 1280786-91-5 |
| Catalog Number | AG000XSB(AGN-PC-0WNMQF) |
| Chemical Name | 1-(3-Bromo-4-chlorophenyl)butan-1-one |
| IUPAC Name | 1-(3-bromo-4-chlorophenyl)butan-1-one |
| InChI | InChI=1S/C10H10BrClO/c1-2-3-10(13)7-4-5-9(12)8(11)6-7/h4-6H,2-3H2,1H3 |
| InChI Key | BLFYNZPJCYTXPV-UHFFFAOYSA-N |
| MDL Number | MFCD18783205 |
| Molecular Formula | C10H10BrClO |
| Molecular Weight | 261.5428 |
| SMILES | CCCC(=O)c1ccc(c(c1)Br)Cl |
| Synonyms | 1-(3-Bromo-4-chlorophenyl)butan-1-one,
1280786-91-5,
ACMC-209bee,
SCHEMBL17094704,
CTK8A9987,
DTXSID00682502,
ANW-19044,
MFCD18783205,
ZINC65337595,
AKOS015908246,
1-Butanone, 1-(3-bromo-4-chlorophenyl)-,
AJ-115257,
TC-107789,
Z9416,
A-3208,
I14-24635,
C10H10BrClO,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.543g/mol |
| Monoisotopic Mass | 259.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number