UCSF

ZINC02574969

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 No

Popular Name: 5-CHLORO-2-(TRIFLUOROMETHYL)BENZYL BROMIDE 5-CHLORO-2-(TRIFLUOROMETHYL)BENZ…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2617-24-0 , 261763-24-0

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) 4.14 7.14 -2.65 0 0 0 0 273.479 2 ↓

Vendor Notes

Note Type Comments Provided By
Warnings Corrosive/Lachrymator Matrix Scientific
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific

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Rings

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

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