1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene

C10H9Cl2NO3 — CID 107719168

IUPAC1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(Cl)c1OC1CC(Cl)C1
InChIInChI=1S/C10H9Cl2NO3/c11-6-4-7(5-6)16-10-8(12)2-1-3-9(10)13(14)15/h1-3,6-7H,4-5H2
InChIKeyMTRVWXQPEXFNSQ-UHFFFAOYSA-N
MW262.09 g/mol
LogP3.40
Rot. Bonds3

About 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene

1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene (PubChem CID 107719168) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene
PubChem CID107719168
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(Cl)c1OC1CC(Cl)C1
InChIInChI=1S/C10H9Cl2NO3/c11-6-4-7(5-6)16-10-8(12)2-1-3-9(10)13(14)15/h1-3,6-7H,4-5H2
InChIKeyMTRVWXQPEXFNSQ-UHFFFAOYSA-N
XLogP3.40
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-6-nitrophenoxy)-N-propylcyclobutan-1-amine
CID 107719208
3-chloro-1-(2-chloro-6-nitrophenoxy)spiro[3.5]nonane
CID 107719170
3-(2-chloro-6-nitrophenoxy)spiro[3.4]octan-1-ol
CID 107719154
3-(2-chloro-6-nitrophenoxy)-2-propoxycyclobutan-1-ol
CID 107942675
1-(2-chloro-6-nitrophenoxy)propan-2-one
CID 103764387
3-(2-chloro-6-nitrophenoxy)-2-methoxycyclobutan-1-one
CID 107719143
1-chloro-2-(chloromethoxy)-3-nitrobenzene
CID 107715606
3-(2-chloro-6-nitrophenoxy)-1-(methylamino)cyclohexane-1-carbonitrile
CID 107718312
2-chloro-6-nitrobenzoic acid
CID 170923318
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-chloro-6-nitrophenyl)methanone
CID 63762267
methyl 2-(2-chloro-6-nitrophenoxy)propanoate
CID 107716272
1,3-dibromo-2-(3-chlorocyclobutyl)oxybenzene
CID 66345084

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene?
The IUPAC name of 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene (CID 107719168) is 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene.
What is the SMILES notation for 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene?
The canonical SMILES for 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene is O=[N+]([O-])c1cccc(Cl)c1OC1CC(Cl)C1.
What is the InChIKey of 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene?
The InChIKey is MTRVWXQPEXFNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c11-6-4-7(5-6)16-10-8(12)2-1-3-9(10)13(14)15/h1-3,6-7H,4-5H2.
What are the key properties of 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene?
1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene has a molecular weight of 262.09 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chlorocyclobutyl)oxy-3-nitrobenzene is sourced from PubChem (CID 107719168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).