N-Methyl 4-Methylbenzimidoyl Chloride

HCID 12410496

Notes Reactions

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Basic information

Standard SMILES: CN=C(Cl)c1ccc(C)cc1
InChIKey: VIPWBAUOOCFJDA-UHFFFAOYSA-N
Molecular formula: C9H10ClN
Average molar mass: 167.63 g/mol

Names & identifiers

Preferred name: N-Methyl 4-Methylbenzimidoyl Chloride
IUPAC: N,4-dimethylbenzenecarboximidoyl chloride

Names & synonyms

VIPWBAUOOCFJDA-UHFFFAOYSA-NN-Methyl 4-Methylbenzimidoyl Chloride

Database identifiers

PubChem CID: 12410496
Nikkaji: J450.200K

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 12.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 146

Related reactions

8 records

New reaction record

HRID 120987As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 144540As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 370910As productuspto-grants-1985_07

HRID 370918As reactantuspto-grants-1985_07

HRID 370922As reactantuspto-grants-1985_07

HRID 370928As reactantuspto-grants-1985_07

HRID 1143620As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1205963As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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