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1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-

HCID 369408
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
16210-64-3
Standard SMILES
O=C1C(=Cc2ccc(F)cc2)C(=O)c2ccccc21
InChIKey
MBHDCJLDOHEKIU-UHFFFAOYSA-N
Molecular formula
C16H9FO2
Average molar mass
252.24 g/mol
Monoisotopic mass
252.05865769

Names & identifiers

Preferred name
1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-
IUPAC
2-[(4-fluorophenyl)methylidene]indene-1,3-dione
English name
2-[(4-fluorophenyl)methylene]-1H-indene-1,3(2H)-dione
Molecular formula
C16H9FO2
Molecular weight
252.24

Names & synonyms

16210-64-32-[(4-fluorophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dione1H-Indene-1,3(2H)-dione, 2-[(4-fluorophenyl)methylene]-2-(4-fluorobenzylidene)-1H-indene-1,3(2H)-dione2-[(4-fluorophenyl)methylidene]indene-1,3-dioneNSC6411782-((4-Fluorophenyl)methylene)indane-1,3-dione2-[(4-fluorophenyl)methylene]indane-1,3-dione2-[(4-fluorophenyl)methylene]cyclopenta[1,2-a]benzene-1,3-dioneMaybridge3_005893SCHEMBL7147011CHEMBL1997886
Show more names
2-[(4-fluorophenyl)methylene]-1H-indene-1,3(2H)-dione
SCHEMBL30381597MBHDCJLDOHEKIU-UHFFFAOYSA-DTXSID90327278HMS1447L19RAA21064MFCD00188604SBB041960STK386212

Database identifiers

CAS
16210-64-3
PubChem CID
369408
DTXSID

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
34.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
392

Physicochemical properties

Melting point
181 °C · 181 °C
Boiling point
429.8 · 429.8±45.0 °C(Predicted)
Density
1.374 · 1.374±0.06 g/cm3(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers4 total

Ryan Scientific, Inc.[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
宝欧信特生物科技(苏州)有限公司51288865780 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
DTXSID90327278
ChEMBL
CHEMBL1997886
Nikkaji
J1.204.262K