anthracen-2-yl carbonochloridate

C15H9ClO2 — CID 88694381

IUPACanthracen-2-yl carbonochloridate
SMILESO=C(Cl)Oc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H9ClO2/c16-15(17)18-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKeyCRFLYQJHJFFNEW-UHFFFAOYSA-N
MW256.69 g/mol
LogP4.73
Rot. Bonds1

About anthracen-2-yl carbonochloridate

anthracen-2-yl carbonochloridate (PubChem CID 88694381) has the molecular formula C15H9ClO2 and a molecular weight of 256.69 g/mol. Its IUPAC name is anthracen-2-yl carbonochloridate.

Molecular Properties

Compound Nameanthracen-2-yl carbonochloridate
PubChem CID88694381
Molecular FormulaC15H9ClO2
Molecular Weight256.69 g/mol
Exact Mass256.03
IUPAC Nameanthracen-2-yl carbonochloridate
SMILESO=C(Cl)Oc1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C15H9ClO2/c16-15(17)18-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H
InChIKeyCRFLYQJHJFFNEW-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
naphthalen-2-yl trichloromethyl carbonate
CID 141321648
(3-carbonochloridoyloxyphenyl) prop-2-enoate
CID 174628554
naphthalen-2-yl 5-bromo-2-chlorobenzoate
CID 7926818
naphthalen-2-yl 4-(4-chlorobenzoyl)oxybenzoate
CID 58741740
naphthalen-2-yl 4-chlorobutanoate
CID 532367
naphthalen-2-yl cyclopropanecarboxylate
CID 532295
naphthalen-2-yl 3-aminopropanoate
CID 82113672
(3-iodophenyl) carbonochloridate
CID 24749160
naphthalen-2-yl 3-sulfanylpropanoate
CID 169079274
naphthalen-2-yl 4-methoxybenzoate
CID 532400

Frequently Asked Questions

What is the IUPAC name of anthracen-2-yl carbonochloridate?
The IUPAC name of anthracen-2-yl carbonochloridate (CID 88694381) is anthracen-2-yl carbonochloridate.
What is the SMILES notation for anthracen-2-yl carbonochloridate?
The canonical SMILES for anthracen-2-yl carbonochloridate is O=C(Cl)Oc1ccc2cc3ccccc3cc2c1.
What is the InChIKey of anthracen-2-yl carbonochloridate?
The InChIKey is CRFLYQJHJFFNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClO2/c16-15(17)18-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H.
What are the key properties of anthracen-2-yl carbonochloridate?
anthracen-2-yl carbonochloridate has a molecular weight of 256.69 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-2-yl carbonochloridate is sourced from PubChem (CID 88694381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).