1-chloro-4-fluoro-2-(2-nitrophenyl)benzene

C12H7ClFNO2 — CID 142744710

IUPAC1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C12H7ClFNO2/c13-11-6-5-8(14)7-10(11)9-3-1-2-4-12(9)15(16)17/h1-7H
InChIKeyOZNCPZBZPHUABB-UHFFFAOYSA-N
MW251.64 g/mol
LogP4.05
Rot. Bonds2

About 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene

1-chloro-4-fluoro-2-(2-nitrophenyl)benzene (PubChem CID 142744710) has the molecular formula C12H7ClFNO2 and a molecular weight of 251.64 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
PubChem CID142744710
Molecular FormulaC12H7ClFNO2
Molecular Weight251.64 g/mol
Exact Mass251.01
IUPAC Name1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccccc1-c1cc(F)ccc1Cl
InChIInChI=1S/C12H7ClFNO2/c13-11-6-5-8(14)7-10(11)9-3-1-2-4-12(9)15(16)17/h1-7H
InChIKeyOZNCPZBZPHUABB-UHFFFAOYSA-N
XLogP4.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 54.05
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

1,2,3,4,5-pentachloro-6-(5-fluoro-2-nitrophenyl)benzene
CID 134630100
4-fluoro-1-methoxy-2-(2-nitrophenyl)benzene
CID 22147723
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
1-(5-fluoro-2-nitrophenyl)naphthalene
CID 121246133
1,2,4-trichloro-5-(2-fluoro-3-nitrophenyl)benzene
CID 134620271
4-(2-chloro-5-fluorophenyl)-2-nitrobenzaldehyde
CID 176730068
N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 102615632
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769
4-(2-chloro-5-fluorophenyl)-5-nitropyrimidin-2-amine
CID 114044646

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene?
The IUPAC name of 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene (CID 142744710) is 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene?
The canonical SMILES for 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene is O=[N+]([O-])c1ccccc1-c1cc(F)ccc1Cl.
What is the InChIKey of 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene?
The InChIKey is OZNCPZBZPHUABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFNO2/c13-11-6-5-8(14)7-10(11)9-3-1-2-4-12(9)15(16)17/h1-7H.
What are the key properties of 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene?
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene has a molecular weight of 251.64 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-(2-nitrophenyl)benzene is sourced from PubChem (CID 142744710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).