4-(4-Chlorophenyl)phthalazin-1-ol
Basic information
- CAS
51334-86-2- Standard SMILES
O=c1[nH]nc(-c2ccc(Cl)cc2)c2ccccc12- InChIKey
ZHLKSRYOYNILEG-UHFFFAOYSA-N- Molecular formula
- C14H9ClN2O
- Average molar mass
- 256.68 g/mol
- Monoisotopic mass
- 256.04034059
Names & identifiers
- Preferred name
- 4-(4-Chlorophenyl)phthalazin-1-ol
- IUPAC
- 4-(4-chlorophenyl)-2H-phthalazin-1-one
- English name
- 4-(4-Chlorophenyl)-1-(2H)-phthalazinone&
- Molecular formula
- C14H9ClN2O
- Molecular weight
- 256.69
Names & synonyms
51334-86-24-(4-chlorophenyl)phthalazin-1-olDTXSID50351039RefChem:287979DTXCID903021064-(4-chlorophenyl)phthalazin-1(2H)-one4-(4-chlorophenyl)-2H-phthalazin-1-one4-(4-Chlorophenyl)-1-(2H)-phthalazinoneMFCD00098133Azostatin Impurity 384-(4-chlorophenyl)-1(2H)-phthalazinoneMaybridge3_001261
Show more names
Trabectedin Impurity 54-(p-chlorobenzyl)-1-(2H)-phthalazinone1(2H)-Phthalazinone, 4-(4-chlorophenyl)-JRH-03703, 4-(4-Chlorophenyl)phthalazin-1(2H)-one, 97%
ChemDiv2_001861Oprea1_098537Oprea1_343925Oprea1_744537SCHEMBL706420SCHEMBL7666911CHEMBL4242884SCHEMBL31014288
Database identifiers
- CAS
51334-86-2- PubChem CID
- 689084
- DTXSID
DTXSID50351039- ChEMBL
CHEMBL4242884
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Melting point
- 270 · 270-274 °C(lit.)
- WGK Germany
- 3 · 3
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
- 3
Related reactions
1 records
Compound notes
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