9-bromo-10-chloroanthracene

C14H8BrCl — CID 14790560

IUPAC9-bromo-10-chloroanthracene
SMILESClc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C14H8BrCl/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyCUCKMYLUBLINBI-UHFFFAOYSA-N
MW291.57 g/mol
LogP5.41
Rot. Bonds

About 9-bromo-10-chloroanthracene

9-bromo-10-chloroanthracene (PubChem CID 14790560) has the molecular formula C14H8BrCl and a molecular weight of 291.57 g/mol. Its IUPAC name is 9-bromo-10-chloroanthracene.

Molecular Properties

Compound Name9-bromo-10-chloroanthracene
PubChem CID14790560
Molecular FormulaC14H8BrCl
Molecular Weight291.57 g/mol
Exact Mass289.95
IUPAC Name9-bromo-10-chloroanthracene
SMILESClc1c2ccccc2c(Br)c2ccccc12
InChIInChI=1S/C14H8BrCl/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H
InChIKeyCUCKMYLUBLINBI-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.57
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-Bromoanthracene
CID 74062
4-Bromophenanthrene
CID 299137
1-Bromo-8-chloronaphthalene
CID 20331999
10-Bromo-1,8-dichloroanthracene
CID 15939690
1-Bromo-5-chloro-naphthalene
CID 299007
1-Bromo-4-chloronaphthalene
CID 3745562
2-Bromomethyl-1-chloro-naphthalene
CID 13805765
1-Bromo-2-(4-chloro-2-fluorophenyl)naphthalene
CID 154709386
1-Bromoanthracene
CID 12529827
1-Bromophenanthrene
CID 13933880
4-Bromo-1-chloro-2-(trifluoromethyl)naphthalene
CID 84820277
1-bromo-2-[(Z)-2-[4-[(Z)-2-(2-bromo-5-chlorophenyl)ethenyl]-2,3-difluorophenyl]ethenyl]naphthalene
CID 167713767

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-chloroanthracene?
The IUPAC name of 9-bromo-10-chloroanthracene (CID 14790560) is 9-bromo-10-chloroanthracene.
What is the SMILES notation for 9-bromo-10-chloroanthracene?
The canonical SMILES for 9-bromo-10-chloroanthracene is Clc1c2ccccc2c(Br)c2ccccc12.
What is the InChIKey of 9-bromo-10-chloroanthracene?
The InChIKey is CUCKMYLUBLINBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl/c15-13-9-5-1-3-7-11(9)14(16)12-8-4-2-6-10(12)13/h1-8H.
What are the key properties of 9-bromo-10-chloroanthracene?
9-bromo-10-chloroanthracene has a molecular weight of 291.57 g/mol, XLogP of 5.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-chloroanthracene is sourced from PubChem (CID 14790560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).