5-chloro-2-fluoro-3-nitrobenzoyl chloride

C7H2Cl2FNO3 — CID 165349862

IUPAC5-chloro-2-fluoro-3-nitrobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)cc([N+](=O)[O-])c1F
InChIInChI=1S/C7H2Cl2FNO3/c8-3-1-4(7(9)12)6(10)5(2-3)11(13)14/h1-2H
InChIKeyCJILFIORGNKKKB-UHFFFAOYSA-N
MW238.00 g/mol
LogP2.77
Rot. Bonds2

About 5-chloro-2-fluoro-3-nitrobenzoyl chloride

5-chloro-2-fluoro-3-nitrobenzoyl chloride (PubChem CID 165349862) has the molecular formula C7H2Cl2FNO3 and a molecular weight of 238.00 g/mol. Its IUPAC name is 5-chloro-2-fluoro-3-nitrobenzoyl chloride.

Molecular Properties

Compound Name5-chloro-2-fluoro-3-nitrobenzoyl chloride
PubChem CID165349862
Molecular FormulaC7H2Cl2FNO3
Molecular Weight238.00 g/mol
Exact Mass236.94
IUPAC Name5-chloro-2-fluoro-3-nitrobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)cc([N+](=O)[O-])c1F
InChIInChI=1S/C7H2Cl2FNO3/c8-3-1-4(7(9)12)6(10)5(2-3)11(13)14/h1-2H
InChIKeyCJILFIORGNKKKB-UHFFFAOYSA-N
XLogP2.77
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.00
LogP ≤ 52.77
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-(2,5-dichloro-3-nitrophenyl)ethanone
CID 10036984
5-chloro-3-nitro-2-(trifluoromethylsulfonyloxy)benzoic acid
CID 23033925
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
4-bromo-5-fluoro-2-nitrobenzoyl chloride
CID 124925511
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984
2,6-dichloro-5-nitropyridine-3-carbonyl chloride
CID 54297365
4-chloro-2,6-dinitrophenolate
CID 36690453
5-(3-chlorophenyl)-2-fluoro-3-nitrobenzoic acid
CID 171121626
N-(5-chloropyrazin-2-yl)-2,5-difluoro-3-nitrobenzamide
CID 107595745
5-chloro-2-methoxy-3-nitrobenzoic acid
CID 43449069
bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-3-nitrobenzoyl chloride?
The IUPAC name of 5-chloro-2-fluoro-3-nitrobenzoyl chloride (CID 165349862) is 5-chloro-2-fluoro-3-nitrobenzoyl chloride.
What is the SMILES notation for 5-chloro-2-fluoro-3-nitrobenzoyl chloride?
The canonical SMILES for 5-chloro-2-fluoro-3-nitrobenzoyl chloride is O=C(Cl)c1cc(Cl)cc([N+](=O)[O-])c1F.
What is the InChIKey of 5-chloro-2-fluoro-3-nitrobenzoyl chloride?
The InChIKey is CJILFIORGNKKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2FNO3/c8-3-1-4(7(9)12)6(10)5(2-3)11(13)14/h1-2H.
What are the key properties of 5-chloro-2-fluoro-3-nitrobenzoyl chloride?
5-chloro-2-fluoro-3-nitrobenzoyl chloride has a molecular weight of 238.00 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-3-nitrobenzoyl chloride is sourced from PubChem (CID 165349862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).