UCSF

ZINC00056541

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: 2-Amino-5-bromobenzotrifluoride 2-Amino-5-bromobenzotrifluoride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 445-02-3 , 54962-75-3 , [445-02-3]

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) 3.05 0.7 -3.1 2 1 0 26 240.022 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 102 / 11 TCI
Boiling_Point 221-223? Alfa-Aesar
Boiling_Point 221-223° Alfa-Aesar
Boiling_Point 84-85?/5mm Alfa-Aesar
Boiling_Point 84-85°/5mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Light Sensitive/Refrigerate Matrix Scientific
PUBCHEM_PATENT_ID US5650415 IBM Patent Data
Purity ¡Ý99% APIChem

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

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