(4-chloro-3-fluorophenyl) carbonochloridate

C7H3Cl2FO2 — CID 82717639

IUPAC(4-chloro-3-fluorophenyl) carbonochloridate
SMILESO=C(Cl)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H3Cl2FO2/c8-5-2-1-4(3-6(5)10)12-7(9)11/h1-3H
InChIKeyVKHOCNZZIIBARS-UHFFFAOYSA-N
MW209.00 g/mol
LogP3.22
Rot. Bonds1

About (4-chloro-3-fluorophenyl) carbonochloridate

(4-chloro-3-fluorophenyl) carbonochloridate (PubChem CID 82717639) has the molecular formula C7H3Cl2FO2 and a molecular weight of 209.00 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl) carbonochloridate.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl) carbonochloridate
PubChem CID82717639
Molecular FormulaC7H3Cl2FO2
Molecular Weight209.00 g/mol
Exact Mass207.95
IUPAC Name(4-chloro-3-fluorophenyl) carbonochloridate
SMILESO=C(Cl)Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C7H3Cl2FO2/c8-5-2-1-4(3-6(5)10)12-7(9)11/h1-3H
InChIKeyVKHOCNZZIIBARS-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.00
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
2-chloro-4-(4-chloro-3-fluorophenoxy)benzoic acid
CID 82726948
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
(3,4-difluorophenyl) 2,6-dichlorobenzoate
CID 54207738
1-chloro-2-fluoro-4-(iodosylmethoxy)benzene
CID 155717110
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
CID 21396971
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
4-chloro-3-fluorobenzoic acid
CID 2736536
[3,4-bis(chloromethyl)phenyl] carbonochloridate
CID 21386911
ethyl 2-(4-chloro-3-fluorophenoxy)-2,2-difluoroacetate
CID 82717095

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl) carbonochloridate?
The IUPAC name of (4-chloro-3-fluorophenyl) carbonochloridate (CID 82717639) is (4-chloro-3-fluorophenyl) carbonochloridate.
What is the SMILES notation for (4-chloro-3-fluorophenyl) carbonochloridate?
The canonical SMILES for (4-chloro-3-fluorophenyl) carbonochloridate is O=C(Cl)Oc1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl) carbonochloridate?
The InChIKey is VKHOCNZZIIBARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO2/c8-5-2-1-4(3-6(5)10)12-7(9)11/h1-3H.
What are the key properties of (4-chloro-3-fluorophenyl) carbonochloridate?
(4-chloro-3-fluorophenyl) carbonochloridate has a molecular weight of 209.00 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl) carbonochloridate is sourced from PubChem (CID 82717639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).