p-Toluidine, alpha-((p-bromophenyl)imino)-N-(2-chloroethyl)-N-(2-fluoroethyl)-

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Basic information

CAS: 1233-90-5
Standard SMILES: FCCN(CCCl)c1ccc(C=Nc2ccc(Br)cc2)cc1
InChIKey: IZTDVWPJTVBVGE-UHFFFAOYSA-N
Molecular formula: C17H17BrClFN2
Average molar mass: 383.7 g/mol
Monoisotopic mass: 382.02477

Names & identifiers

Preferred name: p-Toluidine, alpha-((p-bromophenyl)imino)-N-(2-chloroethyl)-N-(2-fluoroethyl)-
IUPAC: 4-[(4-bromophenyl)iminomethyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)aniline

Names & synonyms

1233-90-5NSC-80831NSC 80831BRN 2817469NSC80831p-Toluidine, alpha-((p-bromophenyl)imino)-N-(2-chloroethyl)-N-(2-fluoroethyl)-4-Bromo-N'-(2-chloroethyl)-N'-(2-fluoroethyl)-N,4'-methylidynedi-anilineAniline, 4-bromo-N'-(2-chloroethyl)-N'-(2-fluoroethyl)-N,4'-methylidynedi-NCIOpen2_009133YA9GX886YEDTXSID1013848524-[(4-bromophenyl)iminomethyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)aniline

Show more names

DS-0098754-[[(4-Bromophenyl)imino]methyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)benzenamineAniline, p-[N-(p-bromophenyl)formimidoyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)-Benzenamine, 4-[[(4-bromophenyl)imino]methyl]-N-(2-chloroethyl)-N-(2-fluoroethyl)-Benzenamine,4-[[(4-bromophenyl)imino]methyl]-n-(2-chloroethyl)-n-(2-fluoroethyl)-

Database identifiers

CAS: 1233-90-5
PubChem CID: 96579
DTXSID: DTXSID101384852
UNII: YA9GX886YE
Nikkaji: J85.081K

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 15.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 327

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Compound notes

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