UCSF

ZINC01388874

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 11 Yes

Popular Name: 2,4-dichloro-5-methoxyaniline 2,4-dichloro-5-methoxyaniline

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CAS Numbers: 379229-30-8 , 98446-49-2 , [98446-49-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.69 2.79 -4.26 2 2 0 35 192.045 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 49 - 51 KeyOrganics
MP 49-51° Matrix Scientific
MP 51 TCI
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )