3-(2-(4-Chlorophenoxy)phenyl)-1-methylpyrrolidine-2,4-dione

HCID 23148658

Basic information

CAS
912356-07-1
Standard SMILES
CN1CC(=O)C(c2ccccc2Oc2ccc(Cl)cc2)C1=O
InChIKey
VOTGBXTUIFUDJK-UHFFFAOYSA-N
Molecular formula
C17H14ClNO3
Average molar mass
315.7 g/mol
Monoisotopic mass
315.06622099

Names & identifiers

Preferred name
3-(2-(4-Chlorophenoxy)phenyl)-1-methylpyrrolidine-2,4-dione
IUPAC
3-[2-(4-chlorophenoxy)phenyl]-1-methylpyrrolidine-2,4-dione
English name
3-[2-(4-Chlorophenoxy)phenyl]-1-Methyl-1H-pyrrolidin-2,4-dione
Molecular formula
C17H14ClNO3
Molecular weight
315.75

Names & synonyms

3-(2-(4-CHLOROPHENOXY)PHENYL)-1-METHYLPYRROLIDINE-2,4-DIONE912356-07-13-[2-(4-chlorophenoxy)phenyl]-1-methylpyrrolidine-2,4-dione3-[2-(4-Chloro-phenoxy)-phenyl]-1-methyl-pyrrolidine-2,4-dione3-[2-(4-CHLOROPHENOXY)PHENYL]-1-METHYL-PYRROLIDINE-2,4-DIONE3-(2-(4-chlorophenoxy)phenyl)-1-methyl-pyrrolidine-2,4-dioneSCHEMBL872504DTXSID50631000VOTGBXTUIFUDJK-UHFFFAOYSA-N1352744-53-6DB-356333DB-356785
Show more names
3-[4-(4-Chlorophenoxy)phenyl]-1-methyl-2,4-pyrrolidinedione2,4-Pyrrolidinedione, 3-[4-(4-chlorophenoxy)phenyl]-1-methyl-3-[2-(4-Chlorophenoxy)phenyl]-1-Methyl-1H-pyrrolidin-2,4-dione
F798894

Database identifiers

CAS
912356-07-1
PubChem CID
23148658
DTXSID
DTXSID50631000

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
46.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22

Physicochemical properties

Boiling point
503.7 · 503.7±50.0 °C(Predicted)
Density
1.318 · 1.318
pka
12.67 · 12.67±0.20(Predicted)

Chemistry & industry

Suppliers2 total

爱必信(上海)生物科技有限公司021-38015121-8802 · [email protected]
宁波亿诺化学品有限公司[email protected]

Related reactions

10 records

Compound notes

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