azane;3-chlorobenzenecarboperoxoic acid

C7H8ClNO3 — CID 86637115

IUPACazane;3-chlorobenzenecarboperoxoic acid
SMILESN.O=C(OO)c1cccc(Cl)c1
InChIInChI=1S/C7H5ClO3.H3N/c8-6-3-1-2-5(4-6)7(9)11-10;/h1-4,10H;1H3
InChIKeyRLVJJHOLZLYPQF-UHFFFAOYSA-N
MW189.60 g/mol
LogP2.13
Rot. Bonds1

About azane;3-chlorobenzenecarboperoxoic acid

azane;3-chlorobenzenecarboperoxoic acid (PubChem CID 86637115) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is azane;3-chlorobenzenecarboperoxoic acid.

Molecular Properties

Compound Nameazane;3-chlorobenzenecarboperoxoic acid
PubChem CID86637115
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Nameazane;3-chlorobenzenecarboperoxoic acid
SMILESN.O=C(OO)c1cccc(Cl)c1
InChIInChI=1S/C7H5ClO3.H3N/c8-6-3-1-2-5(4-6)7(9)11-10;/h1-4,10H;1H3
InChIKeyRLVJJHOLZLYPQF-UHFFFAOYSA-N
XLogP2.13
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chlorobenzenecarboperoxoic acid;methanamine
CID 172721776
iodo 3-chlorobenzoate
CID 148549555
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
chloro 3-chlorobenzenecarboperoxoate
CID 87849518
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
2-bromoethyl 3-chlorobenzoate
CID 21411127
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
[[4-(3-chlorobenzoyl)oxyiminocyclohexa-2,5-dien-1-ylidene]amino] 3-chlorobenzoate
CID 5228997
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271

Frequently Asked Questions

What is the IUPAC name of azane;3-chlorobenzenecarboperoxoic acid?
The IUPAC name of azane;3-chlorobenzenecarboperoxoic acid (CID 86637115) is azane;3-chlorobenzenecarboperoxoic acid.
What is the SMILES notation for azane;3-chlorobenzenecarboperoxoic acid?
The canonical SMILES for azane;3-chlorobenzenecarboperoxoic acid is N.O=C(OO)c1cccc(Cl)c1.
What is the InChIKey of azane;3-chlorobenzenecarboperoxoic acid?
The InChIKey is RLVJJHOLZLYPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.H3N/c8-6-3-1-2-5(4-6)7(9)11-10;/h1-4,10H;1H3.
What are the key properties of azane;3-chlorobenzenecarboperoxoic acid?
azane;3-chlorobenzenecarboperoxoic acid has a molecular weight of 189.60 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-chlorobenzenecarboperoxoic acid is sourced from PubChem (CID 86637115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).