Basic information
- CAS
38568-41-1- Standard SMILES
CCOC(=O)c1ccc(Br)cc1C(=O)OCC- InChIKey
SKEUPOHSMLHHSS-UHFFFAOYSA-N- Molecular formula
- C12H13BrO4
- Average molar mass
- 301.13 g/mol
- Monoisotopic mass
- 299.99972
Names & identifiers
- Preferred name
- Diethyl 4-bromobenzene-1,2-dicarboxylate
- IUPAC
- diethyl 4-bromobenzene-1,2-dicarboxylate
- English name
- 1,2-Benzenedicarboxylic acid,4-bromo-,1,2-diethyl ester
- Molecular formula
- C12H13BrO4
- Molecular weight
- 301.13
Names & synonyms
Diethyl 4-bromophthalate38568-41-1Diethyl 4-bromobenzene-1,2-dicarboxylateBenzene-1,2-dicarboxylic acid, 4-bromo-, diethyl esterSCHEMBL234030DTXSID50191891SKEUPOHSMLHHSS-UHFFFAOYSA-N1,2-BENZENEDICARBOXYLIC ACID,4-BROMO-,1,2-DIETHYL ESTERAKOS003267290DB-208479
Database identifiers
- CAS
38568-41-1- PubChem CID
- 181582
- DTXSID
DTXSID50191891- Nikkaji
- J514.459K
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
常州安轩化工有限公司13912302692 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海诚合医药科技有限公司021-021-54382182 18601603956 · [email protected]
Related reactions
1 records
Compound notes
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