carbonochloridic acid;phenol

C7H7ClO3 — CID 87237620

IUPACcarbonochloridic acid;phenol
SMILESO=C(O)Cl.Oc1ccccc1
InChIInChI=1S/C6H6O.CHClO2/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;(H,3,4)
InChIKeyCFOONVCGOSDAFG-UHFFFAOYSA-N
MW174.58 g/mol
LogP2.30
Rot. Bonds

About carbonochloridic acid;phenol

carbonochloridic acid;phenol (PubChem CID 87237620) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is carbonochloridic acid;phenol.

Molecular Properties

Compound Namecarbonochloridic acid;phenol
PubChem CID87237620
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Namecarbonochloridic acid;phenol
SMILESO=C(O)Cl.Oc1ccccc1
InChIInChI=1S/C6H6O.CHClO2/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;(H,3,4)
InChIKeyCFOONVCGOSDAFG-UHFFFAOYSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;hypochlorous acid;phenol
CID 174898371
benzene-1,4-diol;bis(carbonochloridic acid)
CID 88626598
azane;hypochlorous acid;phenol
CID 159093398
molecular oxygen;phenol
CID 141080591
phenol;propanoyl chloride
CID 174946561
acetic acid;phenol
CID 70537927
phenol;chloride
CID 23313261
argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
CID 67496590
CID 67496590
phenol;phosphane
CID 159689182
phenol;tantalum
CID 19915613

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;phenol?
The IUPAC name of carbonochloridic acid;phenol (CID 87237620) is carbonochloridic acid;phenol.
What is the SMILES notation for carbonochloridic acid;phenol?
The canonical SMILES for carbonochloridic acid;phenol is O=C(O)Cl.Oc1ccccc1.
What is the InChIKey of carbonochloridic acid;phenol?
The InChIKey is CFOONVCGOSDAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.CHClO2/c7-6-4-2-1-3-5-6;2-1(3)4/h1-5,7H;(H,3,4).
What are the key properties of carbonochloridic acid;phenol?
carbonochloridic acid;phenol has a molecular weight of 174.58 g/mol, XLogP of 2.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;phenol is sourced from PubChem (CID 87237620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).