2,5-dibromononanedioyl dichloride

C9H12Br2Cl2O2 — CID 141298253

IUPAC2,5-dibromononanedioyl dichloride
SMILESO=C(Cl)CCCC(Br)CCC(Br)C(=O)Cl
InChIInChI=1S/C9H12Br2Cl2O2/c10-6(2-1-3-8(12)14)4-5-7(11)9(13)15/h6-7H,1-5H2
InChIKeyBWCVPJHHFUUQAV-UHFFFAOYSA-N
MW382.91 g/mol
LogP3.99
Rot. Bonds8

About 2,5-dibromononanedioyl dichloride

2,5-dibromononanedioyl dichloride (PubChem CID 141298253) has the molecular formula C9H12Br2Cl2O2 and a molecular weight of 382.91 g/mol. Its IUPAC name is 2,5-dibromononanedioyl dichloride.

Molecular Properties

Compound Name2,5-dibromononanedioyl dichloride
PubChem CID141298253
Molecular FormulaC9H12Br2Cl2O2
Molecular Weight382.91 g/mol
Exact Mass379.86
IUPAC Name2,5-dibromononanedioyl dichloride
SMILESO=C(Cl)CCCC(Br)CCC(Br)C(=O)Cl
InChIInChI=1S/C9H12Br2Cl2O2/c10-6(2-1-3-8(12)14)4-5-7(11)9(13)15/h6-7H,1-5H2
InChIKeyBWCVPJHHFUUQAV-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.91
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromopentanoyl chloride
CID 11185032
ethyl 5-bromo-6-chloro-6-oxohexanoate
CID 24973390
5-chlorohexanoyl chloride
CID 71757929
(2S)-2-bromohexadecanoyl chloride
CID 129383045
2-benzylhexanedioyl dichloride
CID 87257530
(5R,9R)-5,9,13-trimethyltetradecanoyl chloride
CID 118035354
2-methyldecanedioyl dichloride
CID 21217366
propane-1,1,3-tricarbonyl chloride
CID 87502873
8-methylhexadecanedioyl dichloride
CID 139686539
2,3-dimethylnonadecanedioyl dichloride
CID 87117742
2,3-diethylheptadecanedioyl dichloride
CID 87116823
2-bromohexanedioyl dibromide
CID 19839142

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromononanedioyl dichloride?
The IUPAC name of 2,5-dibromononanedioyl dichloride (CID 141298253) is 2,5-dibromononanedioyl dichloride.
What is the SMILES notation for 2,5-dibromononanedioyl dichloride?
The canonical SMILES for 2,5-dibromononanedioyl dichloride is O=C(Cl)CCCC(Br)CCC(Br)C(=O)Cl.
What is the InChIKey of 2,5-dibromononanedioyl dichloride?
The InChIKey is BWCVPJHHFUUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2Cl2O2/c10-6(2-1-3-8(12)14)4-5-7(11)9(13)15/h6-7H,1-5H2.
What are the key properties of 2,5-dibromononanedioyl dichloride?
2,5-dibromononanedioyl dichloride has a molecular weight of 382.91 g/mol, XLogP of 3.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromononanedioyl dichloride is sourced from PubChem (CID 141298253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).