4-chloro-1-cyclopropyl-2-nitrobenzene

C9H8ClNO2 — CID 130133348

IUPAC4-chloro-1-cyclopropyl-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1C1CC1
InChIInChI=1S/C9H8ClNO2/c10-7-3-4-8(6-1-2-6)9(5-7)11(12)13/h3-6H,1-2H2
InChIKeyHWQUMFXZCNXMKM-UHFFFAOYSA-N
MW197.62 g/mol
LogP3.13
Rot. Bonds2

About 4-chloro-1-cyclopropyl-2-nitrobenzene

4-chloro-1-cyclopropyl-2-nitrobenzene (PubChem CID 130133348) has the molecular formula C9H8ClNO2 and a molecular weight of 197.62 g/mol. Its IUPAC name is 4-chloro-1-cyclopropyl-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-cyclopropyl-2-nitrobenzene
PubChem CID130133348
Molecular FormulaC9H8ClNO2
Molecular Weight197.62 g/mol
Exact Mass197.02
IUPAC Name4-chloro-1-cyclopropyl-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1C1CC1
InChIInChI=1S/C9H8ClNO2/c10-7-3-4-8(6-1-2-6)9(5-7)11(12)13/h3-6H,1-2H2
InChIKeyHWQUMFXZCNXMKM-UHFFFAOYSA-N
XLogP3.13
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 53.13
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-chloro-2-cyclohexyl-1-nitrobenzene
CID 12007670
4-(2,4-dinitrophenyl)piperidine
CID 15925829
CID 58697900
CID 58697900
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-chloro-2-nitroaniline
CID 6979
2-(4-chloro-2-nitrophenyl)-1-cyclopropylethanol
CID 63353057
3-bromo-4-(4-chloro-2-nitrophenyl)pyrrolidine-2,5-dione
CID 106695218
2-chloro-4-cyclopropyl-5-nitropyridine
CID 168888744
(2S)-2-(5-chloro-2-nitrophenyl)aziridine
CID 55263842
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
1,4-bis(4-chloro-2-nitrophenyl)piperazine
CID 3930844

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-cyclopropyl-2-nitrobenzene?
The IUPAC name of 4-chloro-1-cyclopropyl-2-nitrobenzene (CID 130133348) is 4-chloro-1-cyclopropyl-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-cyclopropyl-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-cyclopropyl-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1C1CC1.
What is the InChIKey of 4-chloro-1-cyclopropyl-2-nitrobenzene?
The InChIKey is HWQUMFXZCNXMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO2/c10-7-3-4-8(6-1-2-6)9(5-7)11(12)13/h3-6H,1-2H2.
What are the key properties of 4-chloro-1-cyclopropyl-2-nitrobenzene?
4-chloro-1-cyclopropyl-2-nitrobenzene has a molecular weight of 197.62 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-cyclopropyl-2-nitrobenzene is sourced from PubChem (CID 130133348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).