(4-amino-2-nitrophenyl) hypochlorite

C6H5ClN2O3 — CID 172687565

IUPAC(4-amino-2-nitrophenyl) hypochlorite
SMILESNc1ccc(OCl)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5ClN2O3/c7-12-6-2-1-4(8)3-5(6)9(10)11/h1-3H,8H2
InChIKeyBFVQVRIDXAGTNJ-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.71
Rot. Bonds2

About (4-amino-2-nitrophenyl) hypochlorite

(4-amino-2-nitrophenyl) hypochlorite (PubChem CID 172687565) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is (4-amino-2-nitrophenyl) hypochlorite.

Molecular Properties

Compound Name(4-amino-2-nitrophenyl) hypochlorite
PubChem CID172687565
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name(4-amino-2-nitrophenyl) hypochlorite
SMILESNc1ccc(OCl)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5ClN2O3/c7-12-6-2-1-4(8)3-5(6)9(10)11/h1-3H,8H2
InChIKeyBFVQVRIDXAGTNJ-UHFFFAOYSA-N
XLogP1.71
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.71
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

4-ethoxy-3-nitroaniline;hydrochloride
CID 171316041
3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
CID 174492960
4-(2-chlorophenoxy)aniline;3-nitro-4-phenoxyaniline
CID 157443998
4-(4-methoxy-2-nitrophenoxy)aniline
CID 54908814
3-nitro-4-phenylaniline
CID 19386766
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
3-(3-amino-4-nitrophenoxy)-4-nitroaniline
CID 71375971
5-amino-2-nitrobenzonitrile
CID 53400683
4-(4-methylsulfonyl-2-nitrophenoxy)aniline
CID 61027295
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
2-[(4-chloro-2-nitrophenoxy)methyl]pyridin-4-amine
CID 79251756
4-(4-chlorophenyl)sulfanyl-3-nitroaniline
CID 15580151

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-nitrophenyl) hypochlorite?
The IUPAC name of (4-amino-2-nitrophenyl) hypochlorite (CID 172687565) is (4-amino-2-nitrophenyl) hypochlorite.
What is the SMILES notation for (4-amino-2-nitrophenyl) hypochlorite?
The canonical SMILES for (4-amino-2-nitrophenyl) hypochlorite is Nc1ccc(OCl)c([N+](=O)[O-])c1.
What is the InChIKey of (4-amino-2-nitrophenyl) hypochlorite?
The InChIKey is BFVQVRIDXAGTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-12-6-2-1-4(8)3-5(6)9(10)11/h1-3H,8H2.
What are the key properties of (4-amino-2-nitrophenyl) hypochlorite?
(4-amino-2-nitrophenyl) hypochlorite has a molecular weight of 188.57 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-nitrophenyl) hypochlorite is sourced from PubChem (CID 172687565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).