(3-iodophenyl) carbonochloridate

C7H4ClIO2 — CID 24749160

IUPAC(3-iodophenyl) carbonochloridate
SMILESO=C(Cl)Oc1cccc(I)c1
InChIInChI=1S/C7H4ClIO2/c8-7(10)11-6-3-1-2-5(9)4-6/h1-4H
InChIKeyWGERBGDDYWBIQR-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.03
Rot. Bonds1

About (3-iodophenyl) carbonochloridate

(3-iodophenyl) carbonochloridate (PubChem CID 24749160) has the molecular formula C7H4ClIO2 and a molecular weight of 282.46 g/mol. Its IUPAC name is (3-iodophenyl) carbonochloridate.

Molecular Properties

Compound Name(3-iodophenyl) carbonochloridate
PubChem CID24749160
Molecular FormulaC7H4ClIO2
Molecular Weight282.46 g/mol
Exact Mass281.89
IUPAC Name(3-iodophenyl) carbonochloridate
SMILESO=C(Cl)Oc1cccc(I)c1
InChIInChI=1S/C7H4ClIO2/c8-7(10)11-6-3-1-2-5(9)4-6/h1-4H
InChIKeyWGERBGDDYWBIQR-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-acetylphenyl) carbonochloridate
CID 13097700
(3-iodophenyl) (2R)-2-hydroxypropanoate
CID 130670103
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
(3-iodophenyl) butanoate
CID 613173
[3-(bromomethyl)phenyl] carbonochloridate
CID 21386928
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
methanamine;phenyl carbonochloridate
CID 91260916
anthracen-2-yl carbonochloridate
CID 88694381
(3-iodophenyl) dihydrogen phosphite
CID 174648122
4-(3-iodophenoxy)butan-2-one
CID 62031790
1-iodo-3-[3-[4-(3-iodophenoxy)phenoxy]phenoxy]benzene
CID 22494556
1-(3-iodophenyl)-2-[4-[2-(3-iodophenyl)-2-oxoacetyl]phenyl]ethane-1,2-dione
CID 2850310

Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl) carbonochloridate?
The IUPAC name of (3-iodophenyl) carbonochloridate (CID 24749160) is (3-iodophenyl) carbonochloridate.
What is the SMILES notation for (3-iodophenyl) carbonochloridate?
The canonical SMILES for (3-iodophenyl) carbonochloridate is O=C(Cl)Oc1cccc(I)c1.
What is the InChIKey of (3-iodophenyl) carbonochloridate?
The InChIKey is WGERBGDDYWBIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO2/c8-7(10)11-6-3-1-2-5(9)4-6/h1-4H.
What are the key properties of (3-iodophenyl) carbonochloridate?
(3-iodophenyl) carbonochloridate has a molecular weight of 282.46 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl) carbonochloridate is sourced from PubChem (CID 24749160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).