chloromethylbenzene;formaldehyde

C8H9ClO — CID 157080705

IUPACchloromethylbenzene;formaldehyde
SMILESC=O.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.CH2O/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1H2
InChIKeyADMXIMIGWLFCTJ-UHFFFAOYSA-N
MW156.61 g/mol
LogP2.24
Rot. Bonds1

About chloromethylbenzene;formaldehyde

chloromethylbenzene;formaldehyde (PubChem CID 157080705) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is chloromethylbenzene;formaldehyde.

Molecular Properties

Compound Namechloromethylbenzene;formaldehyde
PubChem CID157080705
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Namechloromethylbenzene;formaldehyde
SMILESC=O.ClCc1ccccc1
InChIInChI=1S/C7H7Cl.CH2O/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1H2
InChIKeyADMXIMIGWLFCTJ-UHFFFAOYSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of chloromethylbenzene;formaldehyde?
The IUPAC name of chloromethylbenzene;formaldehyde (CID 157080705) is chloromethylbenzene;formaldehyde.
What is the SMILES notation for chloromethylbenzene;formaldehyde?
The canonical SMILES for chloromethylbenzene;formaldehyde is C=O.ClCc1ccccc1.
What is the InChIKey of chloromethylbenzene;formaldehyde?
The InChIKey is ADMXIMIGWLFCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl.CH2O/c8-6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1H2.
What are the key properties of chloromethylbenzene;formaldehyde?
chloromethylbenzene;formaldehyde has a molecular weight of 156.61 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethylbenzene;formaldehyde is sourced from PubChem (CID 157080705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).