4-bromo-5-fluoro-2-nitrobenzoyl chloride

C7H2BrClFNO3 — CID 124925511

IUPAC4-bromo-5-fluoro-2-nitrobenzoyl chloride
SMILESO=C(Cl)c1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H2BrClFNO3/c8-4-2-6(11(13)14)3(7(9)12)1-5(4)10/h1-2H
InChIKeyAZGFZMBRQDSXMY-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.88
Rot. Bonds2

About 4-bromo-5-fluoro-2-nitrobenzoyl chloride

4-bromo-5-fluoro-2-nitrobenzoyl chloride (PubChem CID 124925511) has the molecular formula C7H2BrClFNO3 and a molecular weight of 282.45 g/mol. Its IUPAC name is 4-bromo-5-fluoro-2-nitrobenzoyl chloride.

Molecular Properties

Compound Name4-bromo-5-fluoro-2-nitrobenzoyl chloride
PubChem CID124925511
Molecular FormulaC7H2BrClFNO3
Molecular Weight282.45 g/mol
Exact Mass280.89
IUPAC Name4-bromo-5-fluoro-2-nitrobenzoyl chloride
SMILESO=C(Cl)c1cc(F)c(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C7H2BrClFNO3/c8-4-2-6(11(13)14)3(7(9)12)1-5(4)10/h1-2H
InChIKeyAZGFZMBRQDSXMY-UHFFFAOYSA-N
XLogP2.88
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
CID 122237244
2-(4-bromo-5-fluoro-2-nitrophenyl)ethanol
CID 156503052
4-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-nitrobenzamide
CID 114278205
5-bromo-2-chloro-4-fluorobenzoyl chloride
CID 89086385
5-chloro-2-fluoro-3-nitrobenzoyl chloride
CID 165349862
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
2,5-dinitrobenzoyl chloride
CID 13033217
2-bromo-4-methoxy-5-nitrobenzoyl chloride
CID 171007108
5-iodo-2-nitro-4-(trifluoromethyl)benzoyl chloride
CID 171018277
5-bromo-4-fluoro-2-nitrobenzenesulfonyl chloride
CID 86775488
6-nitro-1,3-benzodioxole-5-carbonyl chloride
CID 15563894
N-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-2-nitrobenzoyl chloride?
The IUPAC name of 4-bromo-5-fluoro-2-nitrobenzoyl chloride (CID 124925511) is 4-bromo-5-fluoro-2-nitrobenzoyl chloride.
What is the SMILES notation for 4-bromo-5-fluoro-2-nitrobenzoyl chloride?
The canonical SMILES for 4-bromo-5-fluoro-2-nitrobenzoyl chloride is O=C(Cl)c1cc(F)c(Br)cc1[N+](=O)[O-].
What is the InChIKey of 4-bromo-5-fluoro-2-nitrobenzoyl chloride?
The InChIKey is AZGFZMBRQDSXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrClFNO3/c8-4-2-6(11(13)14)3(7(9)12)1-5(4)10/h1-2H.
What are the key properties of 4-bromo-5-fluoro-2-nitrobenzoyl chloride?
4-bromo-5-fluoro-2-nitrobenzoyl chloride has a molecular weight of 282.45 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-2-nitrobenzoyl chloride is sourced from PubChem (CID 124925511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).