UCSF

ZINC15636015

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 10 Yes

Popular Name: 2-Chloro-3-methoxyaniline 2-Chloro-3-methoxyaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 113206-03-4 , 85893-87-4 , [113206-03-4] , [85893-87-4]

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) 2.06 2.29 -4.94 2 2 0 35 157.6 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 41-43° Oakwood Chemical
MP 50° Matrix Scientific
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.