Dimethyl 2,5-Dibromoterephthalate - CAS 18014-00-1
Catalog: |
BB013645 |
Product Name: |
Dimethyl 2,5-Dibromoterephthalate |
CAS: |
18014-00-1 |
Synonyms: |
2,5-dibromobenzene-1,4-dicarboxylic acid dimethyl ester; dimethyl 2,5-dibromobenzene-1,4-dicarboxylate |
IUPAC Name: | dimethyl 2,5-dibromobenzene-1,4-dicarboxylate |
Description: | Dimethyl 2,5-Dibromoterephthalate (CAS# 18014-00-1) is a useful research chemical. |
Molecular Weight: | 351.98 |
Molecular Formula: | C10H8Br2O4 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1Br)C(=O)OC)Br |
InChI: | InChI=1S/C10H8Br2O4/c1-15-9(13)5-3-8(12)6(4-7(5)11)10(14)16-2/h3-4H,1-2H3 |
InChI Key: | QXAFZEQRMJNPLY-UHFFFAOYSA-N |
Boiling Point: | 362 °C at 760 mmHg |
Density: | 1.781 g/cm3 |
MDL: | MFCD00204592 |
LogP: | 2.78480 |
Publication Number | Title | Priority Date |
CN-112390813-A | Non-fullerene electron acceptor material and organic photovoltaic cell | 20190816 |
TW-202106692-A | Non-fullerene electron acceptor materials and organic photovoltaic cells | 20190808 |
TW-I706955-B | Non-fullerene electron acceptor materials and organic photovoltaic cells | 20190808 |
CN-110003234-A | One kind is based on the miscellaneous condensed ring D (A-Ar) of dithieno benzisoxa virtue2Type conjugated compound and its application | 20190410 |
CN-110003234-B | Dithienobenzo-isoaromatic-based hetero-condensed ring D (A-Ar)2Conjugated compound and application thereof | 20190410 |
PMID | Publication Date | Title | Journal |
21754385 | 20110501 | Dimethyl 2,5-bis-(5-hexyl-thio-phen-2-yl)benzene-1,4-dioate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 351.87688 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 349.87893 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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