5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline

C7H4Cl2F2N2O3 — CID 150459531

IUPAC5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline
SMILESNc1cc(Cl)cc(OC(F)(F)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H4Cl2F2N2O3/c8-3-1-4(12)6(13(14)15)5(2-3)16-7(9,10)11/h1-2H,12H2
InChIKeyHPMOHAPWCSPNSA-UHFFFAOYSA-N
MW273.02 g/mol
LogP3.00
Rot. Bonds3

About 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline

5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline (PubChem CID 150459531) has the molecular formula C7H4Cl2F2N2O3 and a molecular weight of 273.02 g/mol. Its IUPAC name is 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline.

Molecular Properties

Compound Name5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline
PubChem CID150459531
Molecular FormulaC7H4Cl2F2N2O3
Molecular Weight273.02 g/mol
Exact Mass271.96
IUPAC Name5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline
SMILESNc1cc(Cl)cc(OC(F)(F)Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H4Cl2F2N2O3/c8-3-1-4(12)6(13(14)15)5(2-3)16-7(9,10)11/h1-2H,12H2
InChIKeyHPMOHAPWCSPNSA-UHFFFAOYSA-N
XLogP3.00
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.02
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

1,5-dichloro-2-nitro-3-(trifluoromethoxy)benzene
CID 118852875
1-chloro-4-[chloro(difluoro)methoxy]-2-fluoro-5-nitrobenzene
CID 71669366
4-nitro-5-(trifluoromethoxy)pyridin-3-amine
CID 19034620
1-chloro-5-methyl-2-nitro-3-(trifluoromethoxy)benzene
CID 134629875
2-(3-amino-5-chloro-2-nitroanilino)ethanol
CID 19851165
2-amino-4-chloro-6-(trifluoromethoxy)benzaldehyde
CID 119004708
3-(4-chloro-2,6-dimethylphenoxy)-2-nitroaniline
CID 80863111
1,5-dichloro-3-[(3,5-dichloro-2-nitrophenyl)methoxymethyl]-2-nitrobenzene
CID 139785843
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
3-bromo-2-nitro-5-(trifluoromethyl)aniline
CID 99770461
3-chloro-6-fluoro-2-nitroaniline
CID 123133688
3-(4-chlorophenoxy)-2-nitroaniline
CID 80864379

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline?
The IUPAC name of 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline (CID 150459531) is 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline.
What is the SMILES notation for 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline?
The canonical SMILES for 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline is Nc1cc(Cl)cc(OC(F)(F)Cl)c1[N+](=O)[O-].
What is the InChIKey of 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline?
The InChIKey is HPMOHAPWCSPNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O3/c8-3-1-4(12)6(13(14)15)5(2-3)16-7(9,10)11/h1-2H,12H2.
What are the key properties of 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline?
5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline has a molecular weight of 273.02 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[chloro(difluoro)methoxy]-2-nitroaniline is sourced from PubChem (CID 150459531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).