Dimethyl-3-bromophthalate

• CAS: 58749-33-0
• Catalog Number: ACM58749330
• Category: Bromine Series
• Molecular Weight: 273.080060 [g/mol]
• Molecular Formula: C10H9BrO4
• Synonyms: Dimethyl-3-bromophthalate, DIMETHYL 3-BROMOPHTHALATE, 58749-33-0, PubChem23787, SureCN1962462, CTK8J4766, PB34522, KB-251620, DIMETHYL 3-BROMO-1,2-BENZENEDICARBOXYLATE, 1,2-BENZENEDICARBOXYLIC ACID,3-BROMO,1,2-DIMETHYL ESTER
• IUPAC Name: dimethyl 3-bromobenzene-1,2-dicarboxylate
• Canonical SMILES: COC(=O)C1=C(C(=CC=C1)Br)C(=O)OC
• InChI Key: JRAPUXBKWPTMEQ-UHFFFAOYSA-N
• Exact Mass: 271.96800
• H-Bond Acceptor: 4
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of Dimethyl-3-bromophthalate?

The molecular formula of Dimethyl-3-bromophthalate is C10H9BrO4.

What are the synonyms of Dimethyl-3-bromophthalate?

The synonyms of Dimethyl-3-bromophthalate are DIMETHYL 3-BROMOPHTHALATE, 58749-33-0, dimethyl 3-bromobenzene-1,2-dicarboxylate, and DIMETHYL 3-BROMO-1,2-BENZENEDICARBOXYLATE.

What is the molecular weight of Dimethyl-3-bromophthalate?

The molecular weight of Dimethyl-3-bromophthalate is 273.08 g/mol.

When was Dimethyl-3-bromophthalate created and modified in PubChem?

Dimethyl-3-bromophthalate was created on 2011-10-30 and last modified on 2023-12-02 in PubChem.

What is the IUPAC name of Dimethyl-3-bromophthalate?

The IUPAC name of Dimethyl-3-bromophthalate is dimethyl 3-bromobenzene-1,2-dicarboxylate.

What is the InChI of Dimethyl-3-bromophthalate?

The InChI of Dimethyl-3-bromophthalate is InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(11)8(6)10(13)15-2/h3-5H,1-2H3.

What is the InChIKey of Dimethyl-3-bromophthalate?

The InChIKey of Dimethyl-3-bromophthalate is JRAPUXBKWPTMEQ-UHFFFAOYSA-N.

What is the canonical SMILES of Dimethyl-3-bromophthalate?

The canonical SMILES of Dimethyl-3-bromophthalate is COC(=O)C1=C(C(=CC=C1)Br)C(=O)OC.

What is the XLogP3 value of Dimethyl-3-bromophthalate?

The XLogP3 value of Dimethyl-3-bromophthalate is 2.3.

Is Dimethyl-3-bromophthalate a canonicalized compound?

Yes, Dimethyl-3-bromophthalate is a canonicalized compound.