Research chemical
CAS Number: 231606-35-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
65450057
Exact Mass
338.12453
InChIKey
UPXYDTHCXGAAOR-UHFFFAOYSA-N
SMILES String
CCCCCCCCCCCC(=O)c1ccc(Br)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
1-(4-Bromophenyl)dodecan-1-one is identified by CAS 231606-35-2, with molecular formula C18H27BrO, molecular weight 339.3, InChIKey UPXYDTHCXGAAOR-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
20
H-bond acceptors
1
H-bond donors
0
Rotatable bonds
11
Ring count
1
Aromatic rings
1
Topological polar surface area
17.07 Ų
Computed LogP
6.55
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
1-(4-Bromophenyl)dodecan-1-one (CAS 231606-35-2) is maintained as a commercial cas reference with formula C18H27BrO, molecular weight 339. 30 g/mol, PubChem CID 65450057.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.