4-bromobenzenecarboximidamide;hydron;chloride

C7H8BrClN2 — CID 19770597

IUPAC4-bromobenzenecarboximidamide;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyIMTHEBSPHHMJOJ-UHFFFAOYSA-N
MW235.51 g/mol
LogP-1.15
Rot. Bonds1

About 4-bromobenzenecarboximidamide;hydron;chloride

4-bromobenzenecarboximidamide;hydron;chloride (PubChem CID 19770597) has the molecular formula C7H8BrClN2 and a molecular weight of 235.51 g/mol. Its IUPAC name is 4-bromobenzenecarboximidamide;hydron;chloride.

Molecular Properties

Compound Name4-bromobenzenecarboximidamide;hydron;chloride
PubChem CID19770597
Molecular FormulaC7H8BrClN2
Molecular Weight235.51 g/mol
Exact Mass233.96
IUPAC Name4-bromobenzenecarboximidamide;hydron;chloride
SMILES[Cl-].[H+].[H]/N=C(\N)c1ccc(Br)cc1
InChIInChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
InChIKeyIMTHEBSPHHMJOJ-UHFFFAOYSA-N
XLogP-1.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzenecarboximidamide;hydron;chloride?
The IUPAC name of 4-bromobenzenecarboximidamide;hydron;chloride (CID 19770597) is 4-bromobenzenecarboximidamide;hydron;chloride.
What is the SMILES notation for 4-bromobenzenecarboximidamide;hydron;chloride?
The canonical SMILES for 4-bromobenzenecarboximidamide;hydron;chloride is [Cl-].[H+].[H]/N=C(\N)c1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzenecarboximidamide;hydron;chloride?
The InChIKey is IMTHEBSPHHMJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H.
What are the key properties of 4-bromobenzenecarboximidamide;hydron;chloride?
4-bromobenzenecarboximidamide;hydron;chloride has a molecular weight of 235.51 g/mol, XLogP of -1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzenecarboximidamide;hydron;chloride is sourced from PubChem (CID 19770597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).