(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate

C12H6Cl2O4 — CID 23213740

IUPAC(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
SMILESO=C(Cl)Oc1ccc2cc(OC(=O)Cl)ccc2c1
InChIInChI=1S/C12H6Cl2O4/c13-11(15)17-9-3-1-7-5-10(18-12(14)16)4-2-8(7)6-9/h1-6H
InChIKeyYMPNCYCNNJXJKU-UHFFFAOYSA-N
MW285.08 g/mol
LogP4.32
Rot. Bonds2

About (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate

(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate (PubChem CID 23213740) has the molecular formula C12H6Cl2O4 and a molecular weight of 285.08 g/mol. Its IUPAC name is (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate.

Molecular Properties

Compound Name(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
PubChem CID23213740
Molecular FormulaC12H6Cl2O4
Molecular Weight285.08 g/mol
Exact Mass283.96
IUPAC Name(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
SMILESO=C(Cl)Oc1ccc2cc(OC(=O)Cl)ccc2c1
InChIInChI=1S/C12H6Cl2O4/c13-11(15)17-9-3-1-7-5-10(18-12(14)16)4-2-8(7)6-9/h1-6H
InChIKeyYMPNCYCNNJXJKU-UHFFFAOYSA-N
XLogP4.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

anthracen-2-yl carbonochloridate
CID 88694381
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
CID 21396971
[3,4-bis(chloromethyl)phenyl] carbonochloridate
CID 21386911
(4-chloro-3-fluorophenyl) carbonochloridate
CID 82717639
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
(2,4-dichloroquinazolin-6-yl) carbonochloridate
CID 88765606
(3-iodophenyl) carbonochloridate
CID 24749160
(3-carbonochloridoyloxy-5-hydroxyphenyl) carbonochloridate
CID 21396999
iron;phenyl carbonochloridate
CID 159914445
(4-carbamoylphenyl) carbonochloridate
CID 119084646
(4-nitrosophenyl) carbonochloridate
CID 87075345
(3-acetylphenyl) carbonochloridate
CID 13097700

Frequently Asked Questions

What is the IUPAC name of (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate?
The IUPAC name of (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate (CID 23213740) is (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate.
What is the SMILES notation for (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate?
The canonical SMILES for (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate is O=C(Cl)Oc1ccc2cc(OC(=O)Cl)ccc2c1.
What is the InChIKey of (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate?
The InChIKey is YMPNCYCNNJXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O4/c13-11(15)17-9-3-1-7-5-10(18-12(14)16)4-2-8(7)6-9/h1-6H.
What are the key properties of (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate?
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate has a molecular weight of 285.08 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate is sourced from PubChem (CID 23213740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).