bis(4-chloro-2-nitrophenyl)methanone

C13H6Cl2N2O5 — CID 13462792

IUPACbis(4-chloro-2-nitrophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H6Cl2N2O5/c14-7-1-3-9(11(5-7)16(19)20)13(18)10-4-2-8(15)6-12(10)17(21)22/h1-6H
InChIKeyLLSAZVNWGFZDSQ-UHFFFAOYSA-N
MW341.11 g/mol
LogP4.04
Rot. Bonds4

About bis(4-chloro-2-nitrophenyl)methanone

bis(4-chloro-2-nitrophenyl)methanone (PubChem CID 13462792) has the molecular formula C13H6Cl2N2O5 and a molecular weight of 341.11 g/mol. Its IUPAC name is bis(4-chloro-2-nitrophenyl)methanone.

Molecular Properties

Compound Namebis(4-chloro-2-nitrophenyl)methanone
PubChem CID13462792
Molecular FormulaC13H6Cl2N2O5
Molecular Weight341.11 g/mol
Exact Mass339.97
IUPAC Namebis(4-chloro-2-nitrophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H6Cl2N2O5/c14-7-1-3-9(11(5-7)16(19)20)13(18)10-4-2-8(15)6-12(10)17(21)22/h1-6H
InChIKeyLLSAZVNWGFZDSQ-UHFFFAOYSA-N
XLogP4.04
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-chloro-2-nitrophenyl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 54005429
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
(2-amino-5-chlorophenyl)-(2-nitrophenyl)methanone
CID 15908933
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
(4-chloro-2-nitrophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671006
5-(4-chloro-2-nitrobenzoyl)-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
CID 142739840
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
CID 3863304
N-(4-aminocyclohexyl)-4-chloro-2-nitrobenzamide
CID 62313306
1-(4-chloro-2-nitrophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 63527874
[4-(4-chloro-2-nitrobenzoyl)-2,5-dimethylpiperazin-1-yl]-(4-chloro-2-nitrophenyl)methanone
CID 4601301
methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 43074434
(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile
CID 43155408

Frequently Asked Questions

What is the IUPAC name of bis(4-chloro-2-nitrophenyl)methanone?
The IUPAC name of bis(4-chloro-2-nitrophenyl)methanone (CID 13462792) is bis(4-chloro-2-nitrophenyl)methanone.
What is the SMILES notation for bis(4-chloro-2-nitrophenyl)methanone?
The canonical SMILES for bis(4-chloro-2-nitrophenyl)methanone is O=C(c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of bis(4-chloro-2-nitrophenyl)methanone?
The InChIKey is LLSAZVNWGFZDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2N2O5/c14-7-1-3-9(11(5-7)16(19)20)13(18)10-4-2-8(15)6-12(10)17(21)22/h1-6H.
What are the key properties of bis(4-chloro-2-nitrophenyl)methanone?
bis(4-chloro-2-nitrophenyl)methanone has a molecular weight of 341.11 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chloro-2-nitrophenyl)methanone is sourced from PubChem (CID 13462792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).