benzene;chloro formate

C7H7ClO2 — CID 66691031

IUPACbenzene;chloro formate
SMILESO=COCl.c1ccccc1
InChIInChI=1S/C6H6.CHClO2/c1-2-4-6-5-3-1;2-4-1-3/h1-6H;1H
InChIKeyHHUMYBGGDNEFTO-UHFFFAOYSA-N
MW158.58 g/mol
LogP2.00
Rot. Bonds1

About benzene;chloro formate

benzene;chloro formate (PubChem CID 66691031) has the molecular formula C7H7ClO2 and a molecular weight of 158.58 g/mol. Its IUPAC name is benzene;chloro formate.

Molecular Properties

Compound Namebenzene;chloro formate
PubChem CID66691031
Molecular FormulaC7H7ClO2
Molecular Weight158.58 g/mol
Exact Mass158.01
IUPAC Namebenzene;chloro formate
SMILESO=COCl.c1ccccc1
InChIInChI=1S/C6H6.CHClO2/c1-2-4-6-5-3-1;2-4-1-3/h1-6H;1H
InChIKeyHHUMYBGGDNEFTO-UHFFFAOYSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.58
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;chloro formate?
The IUPAC name of benzene;chloro formate (CID 66691031) is benzene;chloro formate.
What is the SMILES notation for benzene;chloro formate?
The canonical SMILES for benzene;chloro formate is O=COCl.c1ccccc1.
What is the InChIKey of benzene;chloro formate?
The InChIKey is HHUMYBGGDNEFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CHClO2/c1-2-4-6-5-3-1;2-4-1-3/h1-6H;1H.
What are the key properties of benzene;chloro formate?
benzene;chloro formate has a molecular weight of 158.58 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloro formate is sourced from PubChem (CID 66691031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).