Research chemical
CAS Number: 455-68-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
521184
Exact Mass
154.043008
InChIKey
YXZNVLYXBIIIOB-UHFFFAOYSA-N
IUPAC Name
methyl 3-fluorobenzoate
SMILES String
COC(=O)C1=CC(=CC=C1)F
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.
Benzoic acid, 3-fluoro-, methyl ester is identified by CAS 455-68-5, with molecular formula C8H7FO2, molecular weight 154.14, InChIKey YXZNVLYXBIIIOB-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
11
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
1
Ring count
1
Aromatic rings
1
Topological polar surface area
26.3 Ų
Computed LogP
1.61
Fragment-like structure rule
Yes
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
Benzoic acid, 3-fluoro-, methyl ester (CAS 455-68-5) is maintained as a commercial cas reference with formula C8H7FO2, molecular weight 154. 14 g/mol, PubChem CID 521184.
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 fragment-like structure profile, 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.