3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin
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Basic information
- CAS
263365-35-1- Standard SMILES
O=c1oc2cc(O)ccc2c(-c2ccccc2)c1-c1ccccc1Cl- InChIKey
JBSCMIAEEWZQBR-UHFFFAOYSA-N- Molecular formula
- C21H13ClO3
- Average molar mass
- 348.8 g/mol
- Monoisotopic mass
- 348.055322
Names & identifiers
- Preferred name
- 3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarin
- IUPAC
- 3-(2-chlorophenyl)-7-hydroxy-4-phenylchromen-2-one
- English name
- 3(2'-CHLOROPHENYL)-7-HYDROXY-4-PHENYLCOUMARIN
- Molecular formula
- C21H13ClO3
- Molecular weight
- 348.78
Names & synonyms
3-(2-chlorophenyl)-7-hydroxy-4-phenylchromen-2-one3(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarinRefChem:269424263365-35-13-(2'-Chlorophenyl)-7-hydroxy-4-phenylcoumarinST081388SCHEMBL7164709SCHEMBL31675804DTXSID901346060AKOS024285104Q63408999
Database identifiers
- CAS
263365-35-1- PubChem CID
- 6312947
- DTXSID
DTXSID901346060
Properties
Computed structural propertiesFilling in
- XLogP
- 5
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- form
- solid
- InChI
- 1S/C21H13ClO3/c22-17-9-5-4-8-15(17)20-19(13-6-2-1-3-7-13)16-11-10-14(23)12-18(16)25-21(20)24/h1-12,23H
- InChIKey
- JBSCMIAEEWZQBR-UHFFFAOYSA-N
- UNSPSC Code
- 12352101 · 12352101
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H410
- Precautionary statements
- 264 · P264-P273-P280-P337+P313-P391
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Aquatic · Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
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
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H410
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P273-P280-P337+P313-P391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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