2,3-Dibromohexanedioic acid
Basic information
- CAS
63905-30-6- Standard SMILES
O=C(O)CCC(Br)C(Br)C(=O)O- InChIKey
NCYXNUHATKQYGV-UHFFFAOYSA-N- Molecular formula
- C6H8Br2O4
- Average molar mass
- 303.93 g/mol
- Monoisotopic mass
- 301.87893
Names & identifiers
- Preferred name
- 2,3-Dibromohexanedioic acid
- IUPAC
- 2,3-dibromohexanedioic acid
- English name
- 2,3-Dibromoadipic acid
- Molecular formula
- C6H8Br2O4
- Molecular weight
- 303.93
Names & synonyms
2,3-dibromohexanedioic acidDTXSID80980871RefChem:1059325DTXCID801408144alpha,beta-Dibromoadipic acid63905-30-6ADIPIC ACID, alpha,beta-DIBROMO-BRN 17799743-02-00-01725 (Beilstein Handbook Reference)NSC 1333872,3-Dibromoadipic acidHexanedioic acid,3-dibromo-
Show more names
Hexanedioic acid, 2,3-dibromo-
SCHEMBL6711381NSC133387NSC-133387DB-216627
Database identifiers
- CAS
63905-30-6- PubChem CID
- 45072
- DTXSID
DTXSID80980871- Nikkaji
- J73.415B
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 182
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Related reactions
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Compound notes
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