2-bromo-4-(3-bromopropyl)benzoyl chloride

C10H9Br2ClO — CID 134619218

IUPAC2-bromo-4-(3-bromopropyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(CCCBr)cc1Br
InChIInChI=1S/C10H9Br2ClO/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h3-4,6H,1-2,5H2
InChIKeyAAAXVLRIPITAPZ-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.16
Rot. Bonds4

About 2-bromo-4-(3-bromopropyl)benzoyl chloride

2-bromo-4-(3-bromopropyl)benzoyl chloride (PubChem CID 134619218) has the molecular formula C10H9Br2ClO and a molecular weight of 340.44 g/mol. Its IUPAC name is 2-bromo-4-(3-bromopropyl)benzoyl chloride.

Molecular Properties

Compound Name2-bromo-4-(3-bromopropyl)benzoyl chloride
PubChem CID134619218
Molecular FormulaC10H9Br2ClO
Molecular Weight340.44 g/mol
Exact Mass337.87
IUPAC Name2-bromo-4-(3-bromopropyl)benzoyl chloride
SMILESO=C(Cl)c1ccc(CCCBr)cc1Br
InChIInChI=1S/C10H9Br2ClO/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h3-4,6H,1-2,5H2
InChIKeyAAAXVLRIPITAPZ-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-bromo-4-pentylbenzoic acid
CID 15327817
2-bromobenzene-1,4-dicarbonyl chloride
CID 13431541
ethyl 4-(3-bromopropyl)-2-chlorobenzoate
CID 134645155
2-[3-bromo-4-(3-bromopropyl)phenyl]acetic acid
CID 134625365
2-bromo-4-(4-bromobutyl)-1-fluorobenzene
CID 64506679
2-bromo-4-(4-bromobutyl)benzaldehyde
CID 18374470
2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
CID 118802283
2-bromo-4-(3-chloropropanoyl)benzoyl chloride
CID 134619224
[3-bromo-4-(3-bromopropyl)phenyl]methanol
CID 134625359
1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
CID 119024034
ethyl 4-(3-bromopropyl)-2-(difluoromethyl)benzoate
CID 134641310
ethyl 4-(3-bromopropyl)-2-(trifluoromethyl)benzoate
CID 134644305

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromopropyl)benzoyl chloride?
The IUPAC name of 2-bromo-4-(3-bromopropyl)benzoyl chloride (CID 134619218) is 2-bromo-4-(3-bromopropyl)benzoyl chloride.
What is the SMILES notation for 2-bromo-4-(3-bromopropyl)benzoyl chloride?
The canonical SMILES for 2-bromo-4-(3-bromopropyl)benzoyl chloride is O=C(Cl)c1ccc(CCCBr)cc1Br.
What is the InChIKey of 2-bromo-4-(3-bromopropyl)benzoyl chloride?
The InChIKey is AAAXVLRIPITAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2ClO/c11-5-1-2-7-3-4-8(10(13)14)9(12)6-7/h3-4,6H,1-2,5H2.
What are the key properties of 2-bromo-4-(3-bromopropyl)benzoyl chloride?
2-bromo-4-(3-bromopropyl)benzoyl chloride has a molecular weight of 340.44 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromopropyl)benzoyl chloride is sourced from PubChem (CID 134619218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).