2-chlorobenzenecarboperoxoic acid;hydrogen peroxide

C7H7ClO5 — CID 157104881

IUPAC2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
SMILESO=C(OO)c1ccccc1Cl.OO
InChIInChI=1S/C7H5ClO3.H2O2/c8-6-4-2-1-3-5(6)7(9)11-10;1-2/h1-4,10H;1-2H
InChIKeyAGENBVXPENMELI-UHFFFAOYSA-N
MW206.58 g/mol
LogP1.99
Rot. Bonds1

About 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide

2-chlorobenzenecarboperoxoic acid;hydrogen peroxide (PubChem CID 157104881) has the molecular formula C7H7ClO5 and a molecular weight of 206.58 g/mol. Its IUPAC name is 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide.

Molecular Properties

Compound Name2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
PubChem CID157104881
Molecular FormulaC7H7ClO5
Molecular Weight206.58 g/mol
Exact Mass206.00
IUPAC Name2-chlorobenzenecarboperoxoic acid;hydrogen peroxide
SMILESO=C(OO)c1ccccc1Cl.OO
InChIInChI=1S/C7H5ClO3.H2O2/c8-6-4-2-1-3-5(6)7(9)11-10;1-2/h1-4,10H;1-2H
InChIKeyAGENBVXPENMELI-UHFFFAOYSA-N
XLogP1.99
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

[(Z)-2-(2-chlorobenzoyl)oxy-1,2-bis(2-chlorophenyl)ethenyl] 2-chlorobenzoate
CID 11284367
(2,3,4,5,6-pentafluorophenyl) 2-chlorobenzoate
CID 71348420
2,3,4-trichlorobenzenecarboperoxoic acid
CID 140980172
(2-bromobenzoyl) 2-chlorobenzoate
CID 88812522
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
2,2,2-tribromoethyl 2-chlorobenzoate
CID 134101353
trifluorosilylmethyl 2-chlorobenzoate
CID 12603930
(4-phenylphenyl)methyl 2-chlorobenzoate
CID 7866502
carbonoperoxoic acid;phthalic acid
CID 87562877
(2S,3R)-2,3-bis[(2-chlorobenzoyl)oxy]-4-(4-fluoroanilino)-4-oxobutanoic acid
CID 126388708
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2,3-dichlorophenyl) 2-fluorobenzoate
CID 91711756

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide?
The IUPAC name of 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide (CID 157104881) is 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide.
What is the SMILES notation for 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide?
The canonical SMILES for 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide is O=C(OO)c1ccccc1Cl.OO.
What is the InChIKey of 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide?
The InChIKey is AGENBVXPENMELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.H2O2/c8-6-4-2-1-3-5(6)7(9)11-10;1-2/h1-4,10H;1-2H.
What are the key properties of 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide?
2-chlorobenzenecarboperoxoic acid;hydrogen peroxide has a molecular weight of 206.58 g/mol, XLogP of 1.99, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzenecarboperoxoic acid;hydrogen peroxide is sourced from PubChem (CID 157104881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).