9H-fluoren-1-yl carbonochloridate

C14H9ClO2 — CID 57317054

IUPAC9H-fluoren-1-yl carbonochloridate
SMILESO=C(Cl)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H9ClO2/c15-14(16)17-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8H2
InChIKeyPZLGXHXQNCNYND-UHFFFAOYSA-N
MW244.68 g/mol
LogP4.00
Rot. Bonds1

About 9H-fluoren-1-yl carbonochloridate

9H-fluoren-1-yl carbonochloridate (PubChem CID 57317054) has the molecular formula C14H9ClO2 and a molecular weight of 244.68 g/mol. Its IUPAC name is 9H-fluoren-1-yl carbonochloridate.

Molecular Properties

Compound Name9H-fluoren-1-yl carbonochloridate
PubChem CID57317054
Molecular FormulaC14H9ClO2
Molecular Weight244.68 g/mol
Exact Mass244.03
IUPAC Name9H-fluoren-1-yl carbonochloridate
SMILESO=C(Cl)Oc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H9ClO2/c15-14(16)17-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8H2
InChIKeyPZLGXHXQNCNYND-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-yl carbonochloridate?
The IUPAC name of 9H-fluoren-1-yl carbonochloridate (CID 57317054) is 9H-fluoren-1-yl carbonochloridate.
What is the SMILES notation for 9H-fluoren-1-yl carbonochloridate?
The canonical SMILES for 9H-fluoren-1-yl carbonochloridate is O=C(Cl)Oc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 9H-fluoren-1-yl carbonochloridate?
The InChIKey is PZLGXHXQNCNYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO2/c15-14(16)17-13-7-3-6-11-10-5-2-1-4-9(10)8-12(11)13/h1-7H,8H2.
What are the key properties of 9H-fluoren-1-yl carbonochloridate?
9H-fluoren-1-yl carbonochloridate has a molecular weight of 244.68 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-yl carbonochloridate is sourced from PubChem (CID 57317054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).