1-bromoanthracene

C14H9Br — CID 12529827

IUPAC1-bromoanthracene
SMILESBrc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H9Br/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
InChIKeyXMWJLKOCNKJERQ-UHFFFAOYSA-N
MW257.13 g/mol
LogP4.76
Rot. Bonds

About 1-bromoanthracene

1-bromoanthracene (PubChem CID 12529827) has the molecular formula C14H9Br and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-bromoanthracene.

Molecular Properties

Compound Name1-bromoanthracene
PubChem CID12529827
Molecular FormulaC14H9Br
Molecular Weight257.13 g/mol
Exact Mass255.99
IUPAC Name1-bromoanthracene
SMILESBrc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H9Br/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H
InChIKeyXMWJLKOCNKJERQ-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 54.76
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-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
9-Bromomethylanthracene
CID 17019
1-Bromonaphthalene
CID 7001
1,4-Dibromonaphthalene
CID 66521
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-(Bromomethyl)benz(a)anthracene
CID 90666
7-(Bromomethyl)-12-methylbenz(a)anthracene
CID 27767
7-Bromobenz(a)anthracene
CID 72849

Frequently Asked Questions

What is the IUPAC name of 1-bromoanthracene?
The IUPAC name of 1-bromoanthracene (CID 12529827) is 1-bromoanthracene.
What is the SMILES notation for 1-bromoanthracene?
The canonical SMILES for 1-bromoanthracene is Brc1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-bromoanthracene?
The InChIKey is XMWJLKOCNKJERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H.
What are the key properties of 1-bromoanthracene?
1-bromoanthracene has a molecular weight of 257.13 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromoanthracene is sourced from PubChem (CID 12529827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).