| CAS Number | 84892-43-3 |
| Catalog Number | AG008FXB(AGN-PC-0MYH6H) |
| Chemical Name | 4-(4-Bromophenyl)cyclohexanone |
| IUPAC Name | 4-(4-bromophenyl)cyclohexan-1-one |
| InChI | InChI=1S/C12H13BrO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-2,5-6,10H,3-4,7-8H2 |
| InChI Key | BYVCFGNCJKEOOF-UHFFFAOYSA-N |
| MDL Number | MFCD11111144 |
| Molecular Formula | C12H13BrO |
| Molecular Weight | 253.1350 |
| SMILES | Brc1ccc(cc1)C1CCC(=O)CC1 |
| Synonyms | 4-(4-BROMOPHENYL)CYCLOHEXANONE,
84892-43-3,
4-(p-bromophenyl)-cyclohexanone,
Cyclohexanone, 4-(4-bromophenyl)-,
SCHEMBL6660756,
CTK3C9716,
DTXSID70435385,
BYVCFGNCJKEOOF-UHFFFAOYSA-N,
3098AC,
MFCD11111144,
ZINC34183490,
AJ-87346,
AK109696,
FT-0731172,
ST24042931,
C12H13BrO,
4-(4-bromophenyl)cyclohexan-1-one,
CID10083592,
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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 | 252.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.139g/mol |
| Monoisotopic Mass | 252.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number