2-bromonaphthalene-1-carbonyl chloride;ethane

C13H12BrClO — CID 144648611

IUPAC2-bromonaphthalene-1-carbonyl chloride;ethane
SMILESCC.O=C(Cl)c1c(Br)ccc2ccccc12
InChIInChI=1S/C11H6BrClO.C2H6/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14;1-2/h1-6H;1-2H3
InChIKeyHANZGCNJRWJANK-UHFFFAOYSA-N
MW299.60 g/mol
LogP5.01
Rot. Bonds1

About 2-bromonaphthalene-1-carbonyl chloride;ethane

2-bromonaphthalene-1-carbonyl chloride;ethane (PubChem CID 144648611) has the molecular formula C13H12BrClO and a molecular weight of 299.60 g/mol. Its IUPAC name is 2-bromonaphthalene-1-carbonyl chloride;ethane.

Molecular Properties

Compound Name2-bromonaphthalene-1-carbonyl chloride;ethane
PubChem CID144648611
Molecular FormulaC13H12BrClO
Molecular Weight299.60 g/mol
Exact Mass297.98
IUPAC Name2-bromonaphthalene-1-carbonyl chloride;ethane
SMILESCC.O=C(Cl)c1c(Br)ccc2ccccc12
InChIInChI=1S/C11H6BrClO.C2H6/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14;1-2/h1-6H;1-2H3
InChIKeyHANZGCNJRWJANK-UHFFFAOYSA-N
XLogP5.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.60
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
CID 58180804
1,3-dimethylnaphthalene-2-carbonyl chloride
CID 54124479
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
anthracene-9-carboxylic acid;trichloro(ethyl)silane
CID 87654089
1,3-dimethoxynaphthalene-2-carbonyl chloride
CID 21275659
2-bromonaphthalen-1-ol;methoxymethane
CID 174734204
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
1-anthracen-9-yl-4-bromobutan-1-one
CID 146005094
3-bromobenzene-1,2-dicarbonyl chloride
CID 87748694
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260

Frequently Asked Questions

What is the IUPAC name of 2-bromonaphthalene-1-carbonyl chloride;ethane?
The IUPAC name of 2-bromonaphthalene-1-carbonyl chloride;ethane (CID 144648611) is 2-bromonaphthalene-1-carbonyl chloride;ethane.
What is the SMILES notation for 2-bromonaphthalene-1-carbonyl chloride;ethane?
The canonical SMILES for 2-bromonaphthalene-1-carbonyl chloride;ethane is CC.O=C(Cl)c1c(Br)ccc2ccccc12.
What is the InChIKey of 2-bromonaphthalene-1-carbonyl chloride;ethane?
The InChIKey is HANZGCNJRWJANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClO.C2H6/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14;1-2/h1-6H;1-2H3.
What are the key properties of 2-bromonaphthalene-1-carbonyl chloride;ethane?
2-bromonaphthalene-1-carbonyl chloride;ethane has a molecular weight of 299.60 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromonaphthalene-1-carbonyl chloride;ethane is sourced from PubChem (CID 144648611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).