5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride

C11H5BrClNO4 — CID 23009302

IUPAC5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1
InChIInChI=1S/C11H5BrClNO4/c12-8-5-6(14(16)17)1-2-7(8)9-3-4-10(18-9)11(13)15/h1-5H
InChIKeyGYRGCBZDBBAORN-UHFFFAOYSA-N
MW330.52 g/mol
LogP4.00
Rot. Bonds3

About 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride

5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride (PubChem CID 23009302) has the molecular formula C11H5BrClNO4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride.

Molecular Properties

Compound Name5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
PubChem CID23009302
Molecular FormulaC11H5BrClNO4
Molecular Weight330.52 g/mol
Exact Mass328.91
IUPAC Name5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride
SMILESO=C(Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1
InChIInChI=1S/C11H5BrClNO4/c12-8-5-6(14(16)17)1-2-7(8)9-3-4-10(18-9)11(13)15/h1-5H
InChIKeyGYRGCBZDBBAORN-UHFFFAOYSA-N
XLogP4.00
TPSA73.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2,4-dibromophenyl)furan-2-carbonyl chloride
CID 17274076
5-(4-methoxy-2-nitrophenyl)furan-2-carbonyl chloride
CID 17274075
5-(2-chloro-5-nitrophenyl)furan-2-carboxylic acid
CID 960728
N-hydroxy-5-(2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 91678218
5-(2-methoxy-4-nitrophenyl)furan-2-carboxylic acid
CID 960532
3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-(4-methylphenyl)prop-2-en-1-one
CID 4985952
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-(4-chlorophenyl)-2-cyanoprop-2-enamide
CID 5337319
4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]phenol
CID 4685118
1-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633275
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
(E)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-1-(2-methylphenyl)prop-2-en-1-one
CID 18209513
2-(1,3-benzodioxol-5-yl)-N-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 1275206

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride?
The IUPAC name of 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride (CID 23009302) is 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride.
What is the SMILES notation for 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride?
The canonical SMILES for 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride is O=C(Cl)c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1.
What is the InChIKey of 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride?
The InChIKey is GYRGCBZDBBAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClNO4/c12-8-5-6(14(16)17)1-2-7(8)9-3-4-10(18-9)11(13)15/h1-5H.
What are the key properties of 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride?
5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride has a molecular weight of 330.52 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-nitrophenyl)furan-2-carbonyl chloride is sourced from PubChem (CID 23009302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).