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4-Hydroxy-6-chloro-benzo[h]chromen-2-one (HCID 54705474)|Huagongshe
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Compound
4-Hydroxy-6-chloro-benzo[h]chromen-2-one
HCID
54705474
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=c1cc(O)c2cc(Cl)c3ccccc3c2o1
InChIKey
UNYZLFDDJKZYNG-UHFFFAOYSA-N
Molecular formula
C13H7ClO3
Average molar mass
246.64 g/mol
Monoisotopic mass
246.0083718
Names & identifiers
Preferred name
4-Hydroxy-6-chloro-benzo[h]chromen-2-one
IUPAC
6-chloro-4-hydroxybenzo[h]chromen-2-one
Names & synonyms
SCHEMBL3583349
UNYZLFDDJKZYNG-UHFFFAOYSA-N
4-Hydroxy-6-chloro-benzo[h]chromen-2-one
Database identifiers
PubChem CID
54705474
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Formal charge
0
Complexity
366
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Related reactions
3 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
152300
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
1713717
As product
uspto-grants-2010_09
HRID
1727277
As product
uspto-grants-2009_02
Compound notes
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