chlorosyl furan-2-carboxylate

C5H3ClO4 — CID 154376053

IUPACchlorosyl furan-2-carboxylate
SMILESO=C(O[Cl+][O-])c1ccco1
InChIInChI=1S/C5H3ClO4/c7-5(10-6-8)4-2-1-3-9-4/h1-3H
InChIKeyFCLOHBOGEXOFDH-UHFFFAOYSA-N
MW162.53 g/mol
LogP-0.29
Rot. Bonds2

About chlorosyl furan-2-carboxylate

chlorosyl furan-2-carboxylate (PubChem CID 154376053) has the molecular formula C5H3ClO4 and a molecular weight of 162.53 g/mol. Its IUPAC name is chlorosyl furan-2-carboxylate.

Molecular Properties

Compound Namechlorosyl furan-2-carboxylate
PubChem CID154376053
Molecular FormulaC5H3ClO4
Molecular Weight162.53 g/mol
Exact Mass161.97
IUPAC Namechlorosyl furan-2-carboxylate
SMILESO=C(O[Cl+][O-])c1ccco1
InChIInChI=1S/C5H3ClO4/c7-5(10-6-8)4-2-1-3-9-4/h1-3H
InChIKeyFCLOHBOGEXOFDH-UHFFFAOYSA-N
XLogP-0.29
TPSA62.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.53
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bromomethyl furan-2-carboxylate
CID 54363056
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
(triphenyl-λ4-sulfanyl) furan-2-carboxylate
CID 164863149
cesium furan-2-carboxylate
CID 140900702
sodium furan-2-carboxylate
CID 19205589
Se-(furan-2-carbonylselanyl) furan-2-carboselenoate
CID 14909312
chromium(3+);tris(furan-2-carboxylate)
CID 158568014
furan-2-carboxylic acid;methanol
CID 70611195
methane;propan-2-yl furan-2-carboxylate
CID 157166715
9H-fluoren-9-yl furan-2-carboxylate
CID 7814199

Frequently Asked Questions

What is the IUPAC name of chlorosyl furan-2-carboxylate?
The IUPAC name of chlorosyl furan-2-carboxylate (CID 154376053) is chlorosyl furan-2-carboxylate.
What is the SMILES notation for chlorosyl furan-2-carboxylate?
The canonical SMILES for chlorosyl furan-2-carboxylate is O=C(O[Cl+][O-])c1ccco1.
What is the InChIKey of chlorosyl furan-2-carboxylate?
The InChIKey is FCLOHBOGEXOFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClO4/c7-5(10-6-8)4-2-1-3-9-4/h1-3H.
What are the key properties of chlorosyl furan-2-carboxylate?
chlorosyl furan-2-carboxylate has a molecular weight of 162.53 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosyl furan-2-carboxylate is sourced from PubChem (CID 154376053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).