benzene-1,2-diol;2-chloroacetyl chloride

C8H8Cl2O3 — CID 160709908

IUPACbenzene-1,2-diol;2-chloroacetyl chloride
SMILESO=C(Cl)CCl.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H2Cl2O/c7-5-3-1-2-4-6(5)8;3-1-2(4)5/h1-4,7-8H;1H2
InChIKeyRRSJUFLQHBGKHU-UHFFFAOYSA-N
MW223.05 g/mol
LogP2.09
Rot. Bonds1

About benzene-1,2-diol;2-chloroacetyl chloride

benzene-1,2-diol;2-chloroacetyl chloride (PubChem CID 160709908) has the molecular formula C8H8Cl2O3 and a molecular weight of 223.05 g/mol. Its IUPAC name is benzene-1,2-diol;2-chloroacetyl chloride.

Molecular Properties

Compound Namebenzene-1,2-diol;2-chloroacetyl chloride
PubChem CID160709908
Molecular FormulaC8H8Cl2O3
Molecular Weight223.05 g/mol
Exact Mass221.99
IUPAC Namebenzene-1,2-diol;2-chloroacetyl chloride
SMILESO=C(Cl)CCl.Oc1ccccc1O
InChIInChI=1S/C6H6O2.C2H2Cl2O/c7-5-3-1-2-4-6(5)8;3-1-2(4)5/h1-4,7-8H;1H2
InChIKeyRRSJUFLQHBGKHU-UHFFFAOYSA-N
XLogP2.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloroacetyl chloride;1,2-dichlorobenzene
CID 174927592
benzene-1,2-diol;carbonic acid;1,1,2,2-tetrachloroethene
CID 88675823
2-chloroacetyl chloride;silane
CID 174549758
2-chloroacetic acid;2-hydroxybenzoic acid
CID 57351465
CID 6393025
CID 6393025
2-chloroacetyl chloride;ethane
CID 144520290
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
benzene-1,2-diol;vanadium(2+)
CID 159711752
benzene-1,2-diol;zinc
CID 70580296
benzene-1,2-diol;ruthenium
CID 175866633
bis(benzene-1,2-diol);methane
CID 158804248

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;2-chloroacetyl chloride?
The IUPAC name of benzene-1,2-diol;2-chloroacetyl chloride (CID 160709908) is benzene-1,2-diol;2-chloroacetyl chloride.
What is the SMILES notation for benzene-1,2-diol;2-chloroacetyl chloride?
The canonical SMILES for benzene-1,2-diol;2-chloroacetyl chloride is O=C(Cl)CCl.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;2-chloroacetyl chloride?
The InChIKey is RRSJUFLQHBGKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C2H2Cl2O/c7-5-3-1-2-4-6(5)8;3-1-2(4)5/h1-4,7-8H;1H2.
What are the key properties of benzene-1,2-diol;2-chloroacetyl chloride?
benzene-1,2-diol;2-chloroacetyl chloride has a molecular weight of 223.05 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;2-chloroacetyl chloride is sourced from PubChem (CID 160709908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).