1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene

C12H6ClF2NO2 — CID 67429755

IUPAC1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
SMILESO=[N+]([O-])c1c(Cl)cccc1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO2/c13-9-5-1-4-8(12(9)16(17)18)7-3-2-6-10(14)11(7)15/h1-6H
InChIKeyCXBVDHFLPMICSN-UHFFFAOYSA-N
MW269.63 g/mol
LogP4.19
Rot. Bonds2

About 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene

1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene (PubChem CID 67429755) has the molecular formula C12H6ClF2NO2 and a molecular weight of 269.63 g/mol. Its IUPAC name is 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
PubChem CID67429755
Molecular FormulaC12H6ClF2NO2
Molecular Weight269.63 g/mol
Exact Mass269.01
IUPAC Name1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene
SMILESO=[N+]([O-])c1c(Cl)cccc1-c1cccc(F)c1F
InChIInChI=1S/C12H6ClF2NO2/c13-9-5-1-4-8(12(9)16(17)18)7-3-2-6-10(14)11(7)15/h1-6H
InChIKeyCXBVDHFLPMICSN-UHFFFAOYSA-N
XLogP4.19
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chloro-2-nitrophenyl)phenol
CID 71044316
N-(2-chloro-6-fluorophenyl)methanimine oxide
CID 89329952
3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole;formamide
CID 173034791
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
CID 119007627
3-(3-chloro-2-nitrophenyl)-1H-pyrrole
CID 11436010
3-(3-chloro-2-nitrophenyl)phenol
CID 20816503
2-(2,3-difluorophenyl)-3-nitropyridin-4-amine
CID 69134185
1-chloro-2,3-difluorobenzene
CID 157449386
3-chloro-N-[(2-fluorophenyl)methyl]-2-nitroaniline
CID 104835684
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
3-chloro-6-fluoro-2-nitroaniline
CID 123133688
3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene
CID 140989930

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene?
The IUPAC name of 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene (CID 67429755) is 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene?
The canonical SMILES for 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene is O=[N+]([O-])c1c(Cl)cccc1-c1cccc(F)c1F.
What is the InChIKey of 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene?
The InChIKey is CXBVDHFLPMICSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClF2NO2/c13-9-5-1-4-8(12(9)16(17)18)7-3-2-6-10(14)11(7)15/h1-6H.
What are the key properties of 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene?
1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene has a molecular weight of 269.63 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-nitrophenyl)-2,3-difluorobenzene is sourced from PubChem (CID 67429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).