carbonic acid;2-chlorophenol

C7H7ClO4 — CID 163958261

IUPACcarbonic acid;2-chlorophenol
SMILESO=C(O)O.Oc1ccccc1Cl
InChIInChI=1S/C6H5ClO.CH2O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4,8H;(H2,2,3,4)
InChIKeySFGXANUNHRTEJQ-UHFFFAOYSA-N
MW190.58 g/mol
LogP2.27
Rot. Bonds

About carbonic acid;2-chlorophenol

carbonic acid;2-chlorophenol (PubChem CID 163958261) has the molecular formula C7H7ClO4 and a molecular weight of 190.58 g/mol. Its IUPAC name is carbonic acid;2-chlorophenol.

Molecular Properties

Compound Namecarbonic acid;2-chlorophenol
PubChem CID163958261
Molecular FormulaC7H7ClO4
Molecular Weight190.58 g/mol
Exact Mass190.00
IUPAC Namecarbonic acid;2-chlorophenol
SMILESO=C(O)O.Oc1ccccc1Cl
InChIInChI=1S/C6H5ClO.CH2O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4,8H;(H2,2,3,4)
InChIKeySFGXANUNHRTEJQ-UHFFFAOYSA-N
XLogP2.27
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.58
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 19386561
CID 134902191
CID 134902191
2-chlorophenol;2-propan-2-ylphenol
CID 67592486
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-chlorophenol?
The IUPAC name of carbonic acid;2-chlorophenol (CID 163958261) is carbonic acid;2-chlorophenol.
What is the SMILES notation for carbonic acid;2-chlorophenol?
The canonical SMILES for carbonic acid;2-chlorophenol is O=C(O)O.Oc1ccccc1Cl.
What is the InChIKey of carbonic acid;2-chlorophenol?
The InChIKey is SFGXANUNHRTEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.CH2O3/c7-5-3-1-2-4-6(5)8;2-1(3)4/h1-4,8H;(H2,2,3,4).
What are the key properties of carbonic acid;2-chlorophenol?
carbonic acid;2-chlorophenol has a molecular weight of 190.58 g/mol, XLogP of 2.27, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-chlorophenol is sourced from PubChem (CID 163958261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).