3-(5-chloro-2-nitrophenoxy)aniline

C12H9ClN2O3 — CID 113316446

IUPAC3-(5-chloro-2-nitrophenoxy)aniline
SMILESNc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H9ClN2O3/c13-8-4-5-11(15(16)17)12(6-8)18-10-3-1-2-9(14)7-10/h1-7H,14H2
InChIKeyBWNCVRSVEFFSGI-UHFFFAOYSA-N
MW264.67 g/mol
LogP3.62
Rot. Bonds3

About 3-(5-chloro-2-nitrophenoxy)aniline

3-(5-chloro-2-nitrophenoxy)aniline (PubChem CID 113316446) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 3-(5-chloro-2-nitrophenoxy)aniline.

Molecular Properties

Compound Name3-(5-chloro-2-nitrophenoxy)aniline
PubChem CID113316446
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name3-(5-chloro-2-nitrophenoxy)aniline
SMILESNc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1
InChIInChI=1S/C12H9ClN2O3/c13-8-4-5-11(15(16)17)12(6-8)18-10-3-1-2-9(14)7-10/h1-7H,14H2
InChIKeyBWNCVRSVEFFSGI-UHFFFAOYSA-N
XLogP3.62
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-nitrophenoxy)aniline
CID 12638058
3-(5-chloro-2-nitrophenoxy)benzaldehyde
CID 63944247
3-(5-chloro-2-nitrophenoxy)benzonitrile
CID 102818094
3-[(5-chloro-2-nitrophenyl)methoxy]aniline
CID 79579913
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
3-(4-methoxy-2-nitrophenoxy)aniline
CID 54908684
3-(3-amino-4-nitrophenoxy)-4-nitroaniline
CID 71375971
3-(8-nitroisoquinolin-5-yl)oxyaniline
CID 61027707
4-(5-chloro-2-nitrophenoxy)benzoic acid
CID 62306362
4-(5-chloro-2-nitrophenoxy)-N-methylaniline
CID 115471949
2-chloro-6-(5-chloro-2-nitrophenoxy)pyridine
CID 63587633

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-nitrophenoxy)aniline?
The IUPAC name of 3-(5-chloro-2-nitrophenoxy)aniline (CID 113316446) is 3-(5-chloro-2-nitrophenoxy)aniline.
What is the SMILES notation for 3-(5-chloro-2-nitrophenoxy)aniline?
The canonical SMILES for 3-(5-chloro-2-nitrophenoxy)aniline is Nc1cccc(Oc2cc(Cl)ccc2[N+](=O)[O-])c1.
What is the InChIKey of 3-(5-chloro-2-nitrophenoxy)aniline?
The InChIKey is BWNCVRSVEFFSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-8-4-5-11(15(16)17)12(6-8)18-10-3-1-2-9(14)7-10/h1-7H,14H2.
What are the key properties of 3-(5-chloro-2-nitrophenoxy)aniline?
3-(5-chloro-2-nitrophenoxy)aniline has a molecular weight of 264.67 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-nitrophenoxy)aniline is sourced from PubChem (CID 113316446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).