2-chlorobenzo[a]anthracene

C18H11Cl — CID 23367240

IUPAC2-chlorobenzo[a]anthracene
SMILESClc1ccc2ccc3cc4ccccc4cc3c2c1
InChIInChI=1S/C18H11Cl/c19-16-8-7-12-5-6-15-9-13-3-1-2-4-14(13)10-17(15)18(12)11-16/h1-11H
InChIKeyWQFWQMYVMIACNU-UHFFFAOYSA-N
MW262.74 g/mol
LogP5.80
Rot. Bonds

About 2-chlorobenzo[a]anthracene

2-chlorobenzo[a]anthracene (PubChem CID 23367240) has the molecular formula C18H11Cl and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-chlorobenzo[a]anthracene.

Molecular Properties

Compound Name2-chlorobenzo[a]anthracene
PubChem CID23367240
Molecular FormulaC18H11Cl
Molecular Weight262.74 g/mol
Exact Mass262.05
IUPAC Name2-chlorobenzo[a]anthracene
SMILESClc1ccc2ccc3cc4ccccc4cc3c2c1
InChIInChI=1S/C18H11Cl/c19-16-8-7-12-5-6-15-9-13-3-1-2-4-14(13)10-17(15)18(12)11-16/h1-11H
InChIKeyWQFWQMYVMIACNU-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.74
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

18-chloropentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 89117403
benzo[a]anthracene;hydrobromide
CID 159787028
heptacyclo[16.12.0.02,15.04,13.06,11.020,29.021,26]triaconta-1(30),2,4,6,8,10,12,14,16,18,20(29),21,23,25,27-pentadecaene
CID 21087911
CID 157090523
CID 157090523
2,6-dichlorophenanthrene
CID 123290984
2-chloronaphthalene;naphthalene
CID 159169098
2,3,6-trichlorophenanthrene
CID 123278920
tris(naphtho[1,2-b]phenanthrene);bis(pentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene)
CID 160566024
octacyclo[16.16.0.02,15.04,13.06,11.019,32.021,30.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene
CID 12657600
naphtho[1,2-b]phenanthrene
CID 5889
benzo[a]anthracene;formonitrile
CID 155409375
benzo[a]anthracen-2-ylphosphane
CID 87972542

Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzo[a]anthracene?
The IUPAC name of 2-chlorobenzo[a]anthracene (CID 23367240) is 2-chlorobenzo[a]anthracene.
What is the SMILES notation for 2-chlorobenzo[a]anthracene?
The canonical SMILES for 2-chlorobenzo[a]anthracene is Clc1ccc2ccc3cc4ccccc4cc3c2c1.
What is the InChIKey of 2-chlorobenzo[a]anthracene?
The InChIKey is WQFWQMYVMIACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl/c19-16-8-7-12-5-6-15-9-13-3-1-2-4-14(13)10-17(15)18(12)11-16/h1-11H.
What are the key properties of 2-chlorobenzo[a]anthracene?
2-chlorobenzo[a]anthracene has a molecular weight of 262.74 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzo[a]anthracene is sourced from PubChem (CID 23367240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).