Basic information
- CAS
2965-64-2- Standard SMILES
COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1- InChIKey
AOINTYAZKYYNGN-UHFFFAOYSA-N- Molecular formula
- C16H13FO2
- Average molar mass
- 256.27 g/mol
- Monoisotopic mass
- 256.08995782
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- IUPAC
- (E)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
- English name
- 4-Methoxy-4'-fluorochalcone
- Molecular formula
- C16H13FO2
- Molecular weight
- 256.27
Names & synonyms
2965-64-24-Methoxy-4'-fluorochalcone1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one(E)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one4'-Fluoro-4-methoxychalconeMFCD00017964(2E)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one2-Propen-1-one, 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-, (2E)-126443-11-62-Propen-1-one, 1-(4-fluorophenyl)-3-(4-methoxyphenyl)-NSC125832CHEMBL2272484
Show more names
4-Methoxy-4'-fluorochalcone98%4-Methoxy-4'-fluorochalcone 98%4′-Fluoro-4-methoxychalcone, CAS 2965-64-2(E)-1-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-propen-1-one
SCHEMBL10033953AOINTYAZKYYNGN-NYYWCZLTSA-Ntrans-4'-Fluoro-4-methoxychalconeSBB101724AKOS001707538NSC-125832AS-86618ST50307728
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Melting point
- 107 · 107-108 °C
- Boiling point
- 407.693 · 407.693±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.1948 · 1.1948 (estimate)
- InChI
- InChI=1S/C16H13FO2/c1-19-15-9-2-12(3-10-15)4-11-16(18)13-5-7-14(17)8-6-13/h2-11H,1H3
- InChIKey
- AOINTYAZKYYNGN-UHFFFAOYSA-N
- SMILES
- C(C1=CC=C(F)C=C1)(=O)C=CC1=CC=C(OC)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38
- Safety Statements
- 37 · 37
- Hazard Note
- Irritant
- HS Code
- 29147000 · 29147000
Safety & regulation
Safety data
- hs_code
- 29147000
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers24 total
山东玖玥生物科技有限公司15553333686
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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