1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene

C9H7Cl2NO — CID 7316105

IUPAC1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene
SMILESO=Nc1ccc([C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C9H7Cl2NO/c10-9(11)5-8(9)6-1-3-7(12-13)4-2-6/h1-4,8H,5H2/t8-/m1/s1
InChIKeyOCZWGDZPPFPKHI-MRVPVSSYSA-N
MW216.07 g/mol
LogP3.75
Rot. Bonds2

About 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene

1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene (PubChem CID 7316105) has the molecular formula C9H7Cl2NO and a molecular weight of 216.07 g/mol. Its IUPAC name is 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene.

Molecular Properties

Compound Name1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene
PubChem CID7316105
Molecular FormulaC9H7Cl2NO
Molecular Weight216.07 g/mol
Exact Mass214.99
IUPAC Name1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene
SMILESO=Nc1ccc([C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C9H7Cl2NO/c10-9(11)5-8(9)6-1-3-7(12-13)4-2-6/h1-4,8H,5H2/t8-/m1/s1
InChIKeyOCZWGDZPPFPKHI-MRVPVSSYSA-N
XLogP3.75
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.07
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-Nitroso-1,1'-biphenyl
CID 24971
1-tert-Butyl-4-nitrosobenzene
CID 243111
1-Cyclopropyl-4-nitrobenzene
CID 312713
1-(1-Chloroethenyl)-4-nitrobenzene
CID 82402
1-(2,2-Dichloro-1-methylcyclopropyl)-4-nitrobenzene
CID 582276
1-(Dichloromethyl)-4-nitrobenzene
CID 728683
4-Nitrobenzyl chloroform
CID 12364083
1-Nitro-4-(1,2,2,2-tetrachloroethyl)benzene
CID 12487979
1-Nitro-4-[2,2,2-trichloro-1-(4-nitrophenyl)ethyl]benzene
CID 5102756
Benzene, 1-nitro-4-(trichloromethyl)-
CID 11264963
1-(Dichlorophenylmethyl)-4-nitrobenzene
CID 12792425
4-[(2,2-Dichlorocyclopropyl)methyl]-1-nitrobenzene
CID 3127125

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene?
The IUPAC name of 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene (CID 7316105) is 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene.
What is the SMILES notation for 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene?
The canonical SMILES for 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene is O=Nc1ccc([C@H]2CC2(Cl)Cl)cc1.
What is the InChIKey of 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene?
The InChIKey is OCZWGDZPPFPKHI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7Cl2NO/c10-9(11)5-8(9)6-1-3-7(12-13)4-2-6/h1-4,8H,5H2/t8-/m1/s1.
What are the key properties of 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene?
1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene has a molecular weight of 216.07 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2,2-dichlorocyclopropyl]-4-nitrosobenzene is sourced from PubChem (CID 7316105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).