1-Chloro-3-fluoro-propan-2-one

HCID 228396
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Basic information

CAS
453-12-3
Standard SMILES
O=C(CF)CCl
InChIKey
MAQXAAMLWBWVEE-UHFFFAOYSA-N
Molecular formula
C3H4ClFO
Average molar mass
110.51 g/mol
Monoisotopic mass
109.9934706

Names & identifiers

Preferred name
1-Chloro-3-fluoro-propan-2-one
IUPAC
1-chloro-3-fluoropropan-2-one
English name
1-chloro-3-fluoro-propan-2-one
Molecular formula
C3H4ClFO
Molecular weight
110.51

Names & synonyms

453-12-31-CHLORO-3-FLUORO-PROPAN-2-ONEDTXSID50281327RefChem:229369DTXCID602324811-chloro-3-fluoropropan-2-one1-Fluoro-3-chloroacetoneNSC-213006EN3RCE9GG1-CHLORO-3-FLUORO-2-PROPANONE1-Fluoro-3-chloro-2-propanone2-Propanone, 1-chloro-3-fluoro-
Show more names
NSC21300UNII-6EN3RCE9GG1-chloro-3-fluoropropanoneSCHEMBL1939612MAQXAAMLWBWVEE-UHFFFAOYSA-NAKOS006386103EN300-1964165

Database identifiers

CAS
453-12-3
PubChem CID
228396
DTXSID
DTXSID50281327
UNII
6EN3RCE9GG

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
6

Physicochemical properties

FDA UNII
6 EN3RCE9GG · 6EN3RCE9GG

Chemistry & industry

Upstream & downstream products

Upstream raw materials

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Related reactions

4 records
New reaction record

Compound notes

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