UCSF

ZINC00162405

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 3-Chloro-4-methoxyaniline 3-Chloro-4-methoxyaniline

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CAS Numbers: 5345-54-0 , 6329-90-4 , [5345-54-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.68 2.22 -4.96 2 2 0 35 157.6 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 50 - 55 Enamine Building Blocks
MP 50-55 Matrix Scientific
MP 50-55° Oakwood Chemical
MP 50...55 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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

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