UCSF

ZINC03888984

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 14 No

Popular Name: 5-Amino-2-nitrobenzotrifluoride 5-Amino-2-nitrobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 11/3/393 , 393-11-3 , [393-11-3]

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) 1.80 3.78 -11.63 2 4 0 72 206.123 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 125-128? Alfa-Aesar
Melting_Point 125-128° Alfa-Aesar
MP 126-128° Matrix Scientific
MP 127 TCI
MP 129 - 131 Enamine Building Blocks
MP 129...131 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT-HARMFUL Matrix Scientific
Warnings Irritant-Harmful/Refrigerate Matrix Scientific

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