1-[4-Bromo-2-(1,1-dimethylethyl)phenyl]-1H-pyrrole-2,5-dione - CAS 949139-01-9
Catalog: |
BB061899 |
Product Name: |
1-[4-Bromo-2-(1,1-dimethylethyl)phenyl]-1H-pyrrole-2,5-dione |
CAS: |
949139-01-9 |
Synonyms: |
1-[4-Bromo-2-(1,1-dimethylethyl)phenyl]-1H-pyrrole-2,5-dione |
IUPAC Name: | 1-(4-bromo-2-tert-butylphenyl)pyrrole-2,5-dione |
Molecular Weight: | 308.17 |
Molecular Formula: | C14H14BrNO2 |
Canonical SMILES: | CC(C)(C)C1=C(C=CC(=C1)Br)N2C(=O)C=CC2=O |
InChI: | InChI=1S/C14H14BrNO2/c1-14(2,3)10-8-9(15)4-5-11(10)16-12(17)6-7-13(16)18/h4-8H,1-3H3 |
InChI Key: | FVZGSEYXZANJEF-UHFFFAOYSA-N |
References: | Brem, J.; et al. PCT Int. Appl. 171pp. Patent 2017 CODEN:PIXXD2. |
Complexity: | 379 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.02079 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.02079 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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