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

C7H5ClFNO3 — CID 130615182

IUPAC1-chloro-2-fluoro-3-methoxy-4-nitrobenzene
SMILESCOc1c([N+](=O)[O-])ccc(Cl)c1F
InChIInChI=1S/C7H5ClFNO3/c1-13-7-5(10(11)12)3-2-4(8)6(7)9/h2-3H,1H3
InChIKeyUIFVRIWSZPKFSH-UHFFFAOYSA-N
MW205.57 g/mol
LogP2.40
Rot. Bonds2

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

1-chloro-2-fluoro-3-methoxy-4-nitrobenzene (PubChem CID 130615182) has the molecular formula C7H5ClFNO3 and a molecular weight of 205.57 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-methoxy-4-nitrobenzene
PubChem CID130615182
Molecular FormulaC7H5ClFNO3
Molecular Weight205.57 g/mol
Exact Mass204.99
IUPAC Name1-chloro-2-fluoro-3-methoxy-4-nitrobenzene
SMILESCOc1c([N+](=O)[O-])ccc(Cl)c1F
InChIInChI=1S/C7H5ClFNO3/c1-13-7-5(10(11)12)3-2-4(8)6(7)9/h2-3H,1H3
InChIKeyUIFVRIWSZPKFSH-UHFFFAOYSA-N
XLogP2.40
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.57
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-chloro-2-fluoro-6-nitrophenoxy)propan-2-one
CID 13188586
2-chloro-3-methoxy-1-methyl-4-nitrobenzene
CID 119002827
2-methoxy-1,3,4-trinitrobenzene
CID 13213780
3-chloro-2-fluoro-6-nitrobenzoic acid
CID 130848879
2-chloro-3-methoxy-4-nitrobenzaldehyde
CID 86697803
2-(3-chloro-2-methoxy-6-nitrophenyl)acetonitrile
CID 171002952
1-bromo-2,3-difluoro-4-methoxy-5-nitrobenzene
CID 99770301
3-(3-chloro-2-methoxy-6-nitrophenyl)-2-oxopropanoic acid
CID 21396322
1-(6-chloro-2-fluoro-3-nitrophenyl)ethanone
CID 171008037
1-methoxy-2-nitronaphthalene
CID 10899709
(2-fluoro-3-methoxy-4-nitrophenyl)-morpholin-4-ylmethanone
CID 70099135
1-(3-chloro-2-fluoro-6-nitroanilino)-3-methoxypropan-2-ol
CID 114271190

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene?
The IUPAC name of 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene (CID 130615182) is 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene?
The canonical SMILES for 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene is COc1c([N+](=O)[O-])ccc(Cl)c1F.
What is the InChIKey of 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene?
The InChIKey is UIFVRIWSZPKFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO3/c1-13-7-5(10(11)12)3-2-4(8)6(7)9/h2-3H,1H3.
What are the key properties of 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene?
1-chloro-2-fluoro-3-methoxy-4-nitrobenzene has a molecular weight of 205.57 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-methoxy-4-nitrobenzene is sourced from PubChem (CID 130615182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).