3-chlorobenzenecarboperoxoic acid;methanamine

C8H10ClNO3 — CID 172721776

IUPAC3-chlorobenzenecarboperoxoic acid;methanamine
SMILESCN.O=C(OO)c1cccc(Cl)c1
InChIInChI=1S/C7H5ClO3.CH5N/c8-6-3-1-2-5(4-6)7(9)11-10;1-2/h1-4,10H;2H2,1H3
InChIKeyGPMFAOAMJPLVSA-UHFFFAOYSA-N
MW203.62 g/mol
LogP1.54
Rot. Bonds1

About 3-chlorobenzenecarboperoxoic acid;methanamine

3-chlorobenzenecarboperoxoic acid;methanamine (PubChem CID 172721776) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 3-chlorobenzenecarboperoxoic acid;methanamine.

Molecular Properties

Compound Name3-chlorobenzenecarboperoxoic acid;methanamine
PubChem CID172721776
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name3-chlorobenzenecarboperoxoic acid;methanamine
SMILESCN.O=C(OO)c1cccc(Cl)c1
InChIInChI=1S/C7H5ClO3.CH5N/c8-6-3-1-2-5(4-6)7(9)11-10;1-2/h1-4,10H;2H2,1H3
InChIKeyGPMFAOAMJPLVSA-UHFFFAOYSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 51.54
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

azane;3-chlorobenzenecarboperoxoic acid
CID 86637115
methyl 3-chlorobenzenecarboperoxoate
CID 118256511
iodo 3-chlorobenzoate
CID 148549555
chloro 3-chlorobenzenecarboperoxoate
CID 87849518
benzoyl 3-chlorobenzenecarboperoxoate
CID 174735202
(4-carbamoyl-2,6-dimethylphenyl) 3-chlorobenzoate
CID 129452366
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
(3-chlorophenyl) 3-chlorobenzoate
CID 15128068
2-bromoethyl 3-chlorobenzoate
CID 21411127
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221
(4-chlorophenyl) 3-chlorobenzoate
CID 23011218
2-propoxyethyl 3-chlorobenzoate
CID 71145499

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzenecarboperoxoic acid;methanamine?
The IUPAC name of 3-chlorobenzenecarboperoxoic acid;methanamine (CID 172721776) is 3-chlorobenzenecarboperoxoic acid;methanamine.
What is the SMILES notation for 3-chlorobenzenecarboperoxoic acid;methanamine?
The canonical SMILES for 3-chlorobenzenecarboperoxoic acid;methanamine is CN.O=C(OO)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzenecarboperoxoic acid;methanamine?
The InChIKey is GPMFAOAMJPLVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO3.CH5N/c8-6-3-1-2-5(4-6)7(9)11-10;1-2/h1-4,10H;2H2,1H3.
What are the key properties of 3-chlorobenzenecarboperoxoic acid;methanamine?
3-chlorobenzenecarboperoxoic acid;methanamine has a molecular weight of 203.62 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzenecarboperoxoic acid;methanamine is sourced from PubChem (CID 172721776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).