2-chloro-3-nitrobenzoyl bromide

C7H3BrClNO3 — CID 139677086

IUPAC2-chloro-3-nitrobenzoyl bromide
SMILESO=C(Br)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H3BrClNO3/c8-7(11)4-2-1-3-5(6(4)9)10(12)13/h1-3H
InChIKeyGAERWXUOKDMVHA-UHFFFAOYSA-N
MW264.46 g/mol
LogP2.78
Rot. Bonds2

About 2-chloro-3-nitrobenzoyl bromide

2-chloro-3-nitrobenzoyl bromide (PubChem CID 139677086) has the molecular formula C7H3BrClNO3 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-chloro-3-nitrobenzoyl bromide.

Molecular Properties

Compound Name2-chloro-3-nitrobenzoyl bromide
PubChem CID139677086
Molecular FormulaC7H3BrClNO3
Molecular Weight264.46 g/mol
Exact Mass262.90
IUPAC Name2-chloro-3-nitrobenzoyl bromide
SMILESO=C(Br)c1cccc([N+](=O)[O-])c1Cl
InChIInChI=1S/C7H3BrClNO3/c8-7(11)4-2-1-3-5(6(4)9)10(12)13/h1-3H
InChIKeyGAERWXUOKDMVHA-UHFFFAOYSA-N
XLogP2.78
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 52.78
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

2-chloro-N-cyclooctyl-3-nitrobenzamide
CID 115930862
(2-chloro-3-nitrophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 112576230
1-bromo-2-chloro-3-nitrobenzene
CID 22736053
2-chloro-N-(4-hydroxycyclohexyl)-3-nitrobenzamide
CID 104966705
oxan-4-yl 2-chloro-3-nitrobenzoate
CID 112580718
2-chloro-N-cyclopentyl-N-methyl-3-nitrobenzamide
CID 112576264
2-chloro-N-(4-hydroxyphenyl)-3-nitrobenzamide
CID 115931016
3-methylbutan-2-yl 2-chloro-3-nitrobenzoate
CID 112580737
2-chloro-3-nitro-N-phenylmethoxybenzamide
CID 107856439
2-chloro-N-(cyclobutylmethyl)-3-nitrobenzamide
CID 112576276
(2-chloro-3-nitrophenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 115931036
2-chloro-N-(3-hydroxypropyl)-3-nitrobenzamide
CID 112576310

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-nitrobenzoyl bromide?
The IUPAC name of 2-chloro-3-nitrobenzoyl bromide (CID 139677086) is 2-chloro-3-nitrobenzoyl bromide.
What is the SMILES notation for 2-chloro-3-nitrobenzoyl bromide?
The canonical SMILES for 2-chloro-3-nitrobenzoyl bromide is O=C(Br)c1cccc([N+](=O)[O-])c1Cl.
What is the InChIKey of 2-chloro-3-nitrobenzoyl bromide?
The InChIKey is GAERWXUOKDMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNO3/c8-7(11)4-2-1-3-5(6(4)9)10(12)13/h1-3H.
What are the key properties of 2-chloro-3-nitrobenzoyl bromide?
2-chloro-3-nitrobenzoyl bromide has a molecular weight of 264.46 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-nitrobenzoyl bromide is sourced from PubChem (CID 139677086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).