2-chloro-1-fluoro-4-methyl-3-nitrobenzene

C7H5ClFNO2 — CID 130807356

IUPAC2-chloro-1-fluoro-4-methyl-3-nitrobenzene
SMILESCc1ccc(F)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H5ClFNO2/c1-4-2-3-5(9)6(8)7(4)10(11)12/h2-3H,1H3
InChIKeyFZFDWVUUKBHTIE-UHFFFAOYSA-N
MW189.57 g/mol
LogP2.70
Rot. Bonds1

About 2-chloro-1-fluoro-4-methyl-3-nitrobenzene

2-chloro-1-fluoro-4-methyl-3-nitrobenzene (PubChem CID 130807356) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-methyl-3-nitrobenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-methyl-3-nitrobenzene
PubChem CID130807356
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name2-chloro-1-fluoro-4-methyl-3-nitrobenzene
SMILESCc1ccc(F)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C7H5ClFNO2/c1-4-2-3-5(9)6(8)7(4)10(11)12/h2-3H,1H3
InChIKeyFZFDWVUUKBHTIE-UHFFFAOYSA-N
XLogP2.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 52.70
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

1,4-dimethyl-2,3-dinitrobenzene
CID 3916406
2-chloro-4-methyl-3-nitrobenzenesulfonyl chloride
CID 13307118
2,4-dichloro-1,5-difluoro-3-nitrobenzene
CID 10911296
1-chloro-2,4-dimethyl-3-nitrobenzene
CID 20508440
3-fluoro-N,6-dimethyl-2-nitroaniline
CID 130936724
2-(difluoromethoxy)-1-fluoro-4-methyl-3-nitrobenzene
CID 135743532
3-chloro-1-fluoro-2-methyl-4-nitrobenzene
CID 13251509
1-fluoro-3-isocyanato-4-methyl-2-nitrobenzene
CID 171030435
1,2-dichloro-4-fluoro-5-methyl-3-nitrobenzene
CID 175351754
1-chloro-2-(difluoromethoxy)-4-methyl-3-nitrobenzene
CID 118811182
2-fluoro-4-methyl-3-nitrobenzaldehyde
CID 130767898
1-(chloromethyl)-3-fluoro-4-methyl-2-nitrobenzene
CID 130999829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-methyl-3-nitrobenzene?
The IUPAC name of 2-chloro-1-fluoro-4-methyl-3-nitrobenzene (CID 130807356) is 2-chloro-1-fluoro-4-methyl-3-nitrobenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-methyl-3-nitrobenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-methyl-3-nitrobenzene is Cc1ccc(F)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-1-fluoro-4-methyl-3-nitrobenzene?
The InChIKey is FZFDWVUUKBHTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c1-4-2-3-5(9)6(8)7(4)10(11)12/h2-3H,1H3.
What are the key properties of 2-chloro-1-fluoro-4-methyl-3-nitrobenzene?
2-chloro-1-fluoro-4-methyl-3-nitrobenzene has a molecular weight of 189.57 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-methyl-3-nitrobenzene is sourced from PubChem (CID 130807356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).