3-Iodo-benzamidine

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Basic information

CAS: 756434-74-9
Standard SMILES: N=C(N)c1cccc(I)c1
InChIKey: XJQGSJBTLSVOQF-UHFFFAOYSA-N
Molecular formula: C7H7IN2
Average molar mass: 246.05 g/mol
Monoisotopic mass: 245.9654

Names & identifiers

Preferred name: 3-Iodo-benzamidine
IUPAC: 3-iodobenzenecarboximidamide
English name: 3-Iodo-benzamidine
Molecular formula: C7H7IN2
Molecular weight: 246.05

Names & synonyms

3-iodobenzenecarboximidamide3-IODO-BENZAMIDINE756434-74-93-IODOBENZAMIDINE3-iodobenzimidamideSCHEMBL33333273-Iodobenzene-1-carboximidamideDTXSID10393096XJQGSJBTLSVOQF-UHFFFAOYSA-N

Database identifiers

CAS: 756434-74-9
PubChem CID: 3501945
DTXSID: DTXSID10393096

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 49.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 136

Related reactions

6 records

New reaction record

HRID 200874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 639446As reactantuspto-grants-2010_04

HRID 639448As reactantuspto-grants-2010_04

HRID 1123693As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 2194992As reactantuspto-grants-2012_12

HRID 2194994As reactantuspto-grants-2012_12

Compound notes

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