4'-Chloro-2-methoxychalcone
Basic information
- CAS
82613-32-9- Standard SMILES
COc1ccccc1/C=C/C(=O)c1ccc(Cl)cc1- InChIKey
DUTKEQBTMRWRAC-DHZHZOJOSA-N- Molecular formula
- C16H13ClO2
- Average molar mass
- 272.72 g/mol
- Monoisotopic mass
- 272.0604073
Names & identifiers
- Preferred name
- 4'-Chloro-2-methoxychalcone
- IUPAC
- (E)-1-(4-chlorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Names & synonyms
82613-32-94'-CHLORO-2-METHOXYCHALCONERefChem:506047665-892-1(2E)-1-(4-chlorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-one(E)-1-(4-chlorophenyl)-3-(2-methoxyphenyl)prop-2-en-1-oneMFCD00018693MLS000571820SMR000193833CHEMBL1400132SCHEMBL15903154BDBM61040
Show more names
cid_5346232DUTKEQBTMRWRAC-DHZHZOJOSA-NHMS2448D23STL372315AKOS001296556286956-03-4BIM-0040886.P001Z46033326
Database identifiers
- CAS
82613-32-9- PubChem CID
- 5346232
- ChEMBL
CHEMBL1400132- EC Number
- 665-892-1
- Nikkaji
- J2.285.359G、J2.748.169H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
Suppliers
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Related reactions
1 records
Compound notes
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