UCSF

ZINC03874102

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 17 No

Popular Name: 4-Amino-3,5-dinitrobenzotrifluoride 4-Amino-3,5-dinitrobenzotrifluoride

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CAS Numbers: 445-66-9 , [445-66-9]

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) 2.09 2.78 -4.66 2 7 0 117 251.12 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 142 - 145 KeyOrganics
MP 142-144° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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