[4-(hydroperoxyamino)phenyl] carbonochloridate

C7H6ClNO4 — CID 59118034

IUPAC[4-(hydroperoxyamino)phenyl] carbonochloridate
SMILESO=C(Cl)Oc1ccc(NOO)cc1
InChIInChI=1S/C7H6ClNO4/c8-7(10)12-6-3-1-5(2-4-6)9-13-11/h1-4,9,11H
InChIKeyAVMQFNFQUNOQRY-UHFFFAOYSA-N
MW203.58 g/mol
LogP2.24
Rot. Bonds3

About [4-(hydroperoxyamino)phenyl] carbonochloridate

[4-(hydroperoxyamino)phenyl] carbonochloridate (PubChem CID 59118034) has the molecular formula C7H6ClNO4 and a molecular weight of 203.58 g/mol. Its IUPAC name is [4-(hydroperoxyamino)phenyl] carbonochloridate.

Molecular Properties

Compound Name[4-(hydroperoxyamino)phenyl] carbonochloridate
PubChem CID59118034
Molecular FormulaC7H6ClNO4
Molecular Weight203.58 g/mol
Exact Mass203.00
IUPAC Name[4-(hydroperoxyamino)phenyl] carbonochloridate
SMILESO=C(Cl)Oc1ccc(NOO)cc1
InChIInChI=1S/C7H6ClNO4/c8-7(10)12-6-3-1-5(2-4-6)9-13-11/h1-4,9,11H
InChIKeyAVMQFNFQUNOQRY-UHFFFAOYSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(4-carbamoylphenyl) carbonochloridate
CID 119084646
ethane;(4-methylphenyl) carbonochloridate;uranium
CID 176941938
iron;phenyl carbonochloridate
CID 159914445
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
(4-diazenylphenyl) carbonochloridate
CID 89333043
methanamine;phenyl carbonochloridate
CID 91260916
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
(4-nitroanilino) carbonochloridate
CID 123545253
(4-carbonochloridoyloxyphenyl)-ethyl-oxoazanium
CID 91246042
chloro acetate;phenyl carbonochloridate
CID 87652464
anthracen-2-yl carbonochloridate
CID 88694381

Frequently Asked Questions

What is the IUPAC name of [4-(hydroperoxyamino)phenyl] carbonochloridate?
The IUPAC name of [4-(hydroperoxyamino)phenyl] carbonochloridate (CID 59118034) is [4-(hydroperoxyamino)phenyl] carbonochloridate.
What is the SMILES notation for [4-(hydroperoxyamino)phenyl] carbonochloridate?
The canonical SMILES for [4-(hydroperoxyamino)phenyl] carbonochloridate is O=C(Cl)Oc1ccc(NOO)cc1.
What is the InChIKey of [4-(hydroperoxyamino)phenyl] carbonochloridate?
The InChIKey is AVMQFNFQUNOQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO4/c8-7(10)12-6-3-1-5(2-4-6)9-13-11/h1-4,9,11H.
What are the key properties of [4-(hydroperoxyamino)phenyl] carbonochloridate?
[4-(hydroperoxyamino)phenyl] carbonochloridate has a molecular weight of 203.58 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroperoxyamino)phenyl] carbonochloridate is sourced from PubChem (CID 59118034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).