Research chemical
CAS Number: 408-08-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
9852
Exact Mass
149.085207
InChIKey
OQVYNPDNUMJKRL-UHFFFAOYSA-N
IUPAC Name
1-fluoro-6-nitrohexane
SMILES String
C(CCCF)CC[N+](=O)[O-]
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.
Hexane, 6-fluoro-1-nitro- is identified by CAS 408-08-2, with molecular formula C6H12FNO2, molecular weight 149.16, InChIKey OQVYNPDNUMJKRL-UHFFFAOYSA-N.
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Heavy atom count
10
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
6
Ring count
0
Aromatic rings
0
Topological polar surface area
43.14 Ų
Computed LogP
1.79
Fragment-like structure rule
Yes
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
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
Hexane, 6-fluoro-1-nitro- (CAS 408-08-2) is maintained as a commercial cas reference with formula C6H12FNO2, molecular weight 149. 16 g/mol, PubChem CID 9852.
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.
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.