87bfa2026e94023d…

Compound
ID: 3036454 bytesFirst seen Jun 12, 20261 collection

Fields

NameValue
cid3036
exactMass353.911739
hBondAcceptors0
hBondDonors0
inchiKeyYVGGHNCTFXOJCH-UHFFFAOYSA-N
iupacName1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
molecularFormulaC14H9Cl5
molecularWeight354.5
name1-Chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
pubchemUrlhttps://pubchem.ncbi.nlm.nih.gov/compound/3036
rotatableBonds2
smilesnull
xLogP6.9

Canonical JSON

{
  "id": "3036",
  "type": "Compound",
  "data": {
    "cid": 3036,
    "exactMass": 353.911739,
    "hBondAcceptors": 0,
    "hBondDonors": 0,
    "inchiKey": "YVGGHNCTFXOJCH-UHFFFAOYSA-N",
    "iupacName": "1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",
    "molecularFormula": "C14H9Cl5",
    "molecularWeight": 354.5,
    "name": "1-Chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene",
    "pubchemUrl": "https://pubchem.ncbi.nlm.nih.gov/compound/3036",
    "rotatableBonds": 2,
    "smiles": null,
    "xLogP": 6.9
  }
}

Appears in 1 collection

nih/pubchem-compounds1 version · Jun 12, 2026

Full hash:87bfa2026e94023d48a934d5b70fd38dbbe63cadb9f557e83eadb9a1abf16e0b