CID 147627416

C12H7AlBrN — CID 147627416

IUPAC—
SMILES[Al]n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C12H7BrN.Al/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h1-7H;/q-1;+1
InChIKeyJJIXKYNAWBUJJH-UHFFFAOYSA-N
MW272.08 g/mol
LogP3.49
Rot. Bonds

About CID 147627416

CID 147627416 (PubChem CID 147627416) has the molecular formula C12H7AlBrN and a molecular weight of 272.08 g/mol.

Molecular Properties

Compound NameCID 147627416
PubChem CID147627416
Molecular FormulaC12H7AlBrN
Molecular Weight272.08 g/mol
Exact Mass270.96
IUPAC Name—
SMILES[Al]n1c2ccccc2c2cc(Br)ccc21
InChIInChI=1S/C12H7BrN.Al/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h1-7H;/q-1;+1
InChIKeyJJIXKYNAWBUJJH-UHFFFAOYSA-N
XLogP3.49
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 147627416?
The IUPAC name of CID 147627416 (CID 147627416) is not available.
What is the SMILES notation for CID 147627416?
The canonical SMILES for CID 147627416 is [Al]n1c2ccccc2c2cc(Br)ccc21.
What is the InChIKey of CID 147627416?
The InChIKey is JJIXKYNAWBUJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN.Al/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12;/h1-7H;/q-1;+1.
What are the key properties of CID 147627416?
CID 147627416 has a molecular weight of 272.08 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147627416 is sourced from PubChem (CID 147627416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).