bromobenzene;N,N-dimethylformamide

C9H12BrNO — CID 88804886

IUPACbromobenzene;N,N-dimethylformamide
SMILESBrc1ccccc1.CN(C)C=O
InChIInChI=1S/C6H5Br.C3H7NO/c7-6-4-2-1-3-5-6;1-4(2)3-5/h1-5H;3H,1-2H3
InChIKeyKWIYZHGWEITARH-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.15
Rot. Bonds1

About bromobenzene;N,N-dimethylformamide

bromobenzene;N,N-dimethylformamide (PubChem CID 88804886) has the molecular formula C9H12BrNO and a molecular weight of 230.11 g/mol. Its IUPAC name is bromobenzene;N,N-dimethylformamide.

Molecular Properties

Compound Namebromobenzene;N,N-dimethylformamide
PubChem CID88804886
Molecular FormulaC9H12BrNO
Molecular Weight230.11 g/mol
Exact Mass229.01
IUPAC Namebromobenzene;N,N-dimethylformamide
SMILESBrc1ccccc1.CN(C)C=O
InChIInChI=1S/C6H5Br.C3H7NO/c7-6-4-2-1-3-5-6;1-4(2)3-5/h1-5H;3H,1-2H3
InChIKeyKWIYZHGWEITARH-UHFFFAOYSA-N
XLogP2.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromobenzene;N,N-dimethylformamide?
The IUPAC name of bromobenzene;N,N-dimethylformamide (CID 88804886) is bromobenzene;N,N-dimethylformamide.
What is the SMILES notation for bromobenzene;N,N-dimethylformamide?
The canonical SMILES for bromobenzene;N,N-dimethylformamide is Brc1ccccc1.CN(C)C=O.
What is the InChIKey of bromobenzene;N,N-dimethylformamide?
The InChIKey is KWIYZHGWEITARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C3H7NO/c7-6-4-2-1-3-5-6;1-4(2)3-5/h1-5H;3H,1-2H3.
What are the key properties of bromobenzene;N,N-dimethylformamide?
bromobenzene;N,N-dimethylformamide has a molecular weight of 230.11 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;N,N-dimethylformamide is sourced from PubChem (CID 88804886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).