| CAS Number | 651358-93-9 |
| Catalog Number | AG00EKLO(AGN-PC-0J0XMN) |
| Chemical Name | 1-(4-Bromocyclohex-3-en-1-yl)ethanone |
| IUPAC Name | 1-(4-bromocyclohex-3-en-1-yl)ethanone |
| InChI | InChI=1S/C8H11BrO/c1-6(10)7-2-4-8(9)5-3-7/h4,7H,2-3,5H2,1H3 |
| InChI Key | MFZYGUCXBQSIAS-UHFFFAOYSA-N |
| MDL Number | MFCD22205763 |
| Molecular Formula | C8H11BrO |
| Molecular Weight | 203.0763 |
| SMILES | BrC1=CCC(CC1)C(=O)C |
| Synonyms | 1-(4-Bromocyclohex-3-en-1-yl)ethanone,
651358-93-9,
ACMC-209npb,
C8H11BrO,
SCHEMBL15919347,
CTK8B2107,
DTXSID10743092,
ANW-34989,
KM0904,
MFCD22205763,
AKOS025295595,
TC-123734,
1-(4-Bromocyclohex-3-en-1-yl)ethan-1-one,
V7124,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.079g/mol |
| Monoisotopic Mass | 201.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number