Research chemical
CAS Number: 2901082-56-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
171367944
Exact Mass
318.02669
InChIKey
QPKPZDJZYICGPP-UHFFFAOYSA-N
SMILES String
CCOc1ccc(Br)c(C(=O)OC(C)(C)C)c1F
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.
Tert-butyl 6-bromo-3-ethoxy-2-fluorobenzoate is identified by CAS 2901082-56-0, with molecular formula C13H16BrFO3, molecular weight 319.17, InChIKey QPKPZDJZYICGPP-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
18
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
3
Ring count
1
Aromatic rings
1
Topological polar surface area
35.53 Ų
Computed LogP
3.94
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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
Tert-butyl 6-bromo-3-ethoxy-2-fluorobenzoate (CAS 2901082-56-0) is maintained as a commercial cas reference with formula C13H16BrFO3, molecular weight 319. 17 g/mol, PubChem CID 171367944.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include lead-like structure profile, drug-like rule profile.
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.