Diethyl 5-Bromoisophthalate - CAS 127437-29-0
Catalog: |
BB006805 |
Product Name: |
Diethyl 5-Bromoisophthalate |
CAS: |
127437-29-0 |
Synonyms: |
5-bromobenzene-1,3-dicarboxylic acid diethyl ester; diethyl 5-bromobenzene-1,3-dicarboxylate |
IUPAC Name: | diethyl 5-bromobenzene-1,3-dicarboxylate |
Description: | Diethyl 5-Bromoisophthalate (CAS# 127437-29-0 ) is a useful research chemical. |
Molecular Weight: | 301.13 |
Molecular Formula: | C12H13BrO4 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)Br)C(=O)OCC |
InChI: | InChI=1S/C12H13BrO4/c1-3-16-11(14)8-5-9(7-10(13)6-8)12(15)17-4-2/h5-7H,3-4H2,1-2H3 |
InChI Key: | ZDFHATYWKREQJF-UHFFFAOYSA-N |
Boiling Point: | 348.2 °C at 760 mmHg |
Density: | 1.404 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.80250 |
Publication Number | Title | Priority Date |
CN-109956869-B | Preparation method of room-temperature phosphorescent benzoate compound | 20190108 |
TW-201300380-A | Oxadiazole compound inhibiting β-secretase activity and method of use thereof | 20101019 |
WO-2012054510-A1 | Oxadiazole compounds which inhibit beta-secretase activity and methods of use thereof | 20101019 |
CA-2699787-A1 | (3-hydroxy-4-amino-butan-2-yl)-3-(2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating | 20070924 |
EP-2205596-A1 | (3-hydroxy-4-amino-butan-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for treating | 20070924 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.99972 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.99972 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 52.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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