| CAS Number | 1280786-94-8 |
| Catalog Number | AG000XS8(AGN-PC-0WNQ7H) |
| Chemical Name | 2-Bromo-1-chloro-4-(cyclopropylcarbonyl)benzene |
| IUPAC Name | (3-bromo-4-chlorophenyl)-cyclopropylmethanone |
| InChI | InChI=1S/C10H8BrClO/c11-8-5-7(3-4-9(8)12)10(13)6-1-2-6/h3-6H,1-2H2 |
| InChI Key | KYWLRCNRAPNWNL-UHFFFAOYSA-N |
| MDL Number | MFCD18434450 |
| Molecular Formula | C10H8BrClO |
| Molecular Weight | 259.5269 |
| SMILES | BrC1C(=CC=C(C=1)C(C1CC1)=O)Cl |
| Synonyms | 1280786-94-8,
(3-Bromo-4-chlorophenyl)(cyclopropyl)methanone,
2-BROMO-1-CHLORO-4-(CYCLOPROPYLCARBONYL)BENZENE,
C10H8BrClO,
ACMC-209beh,
CTK8A9990,
DTXSID40682187,
ANW-19047,
MFCD18434450,
ZINC65337438,
AKOS015888487,
AJ-115153,
TC-107792,
ST24020362,
Z9419,
A-3458,
Methanone, (3-bromo-4-chlorophenyl)cyclopropyl-,
I01-10809,
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| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.527g/mol |
| Monoisotopic Mass | 257.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number