UCSF

ZINC02565173

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 11 No

Popular Name: 2-bromo-1-(2-fluorophenyl)ethanone 2-bromo-1-(2-fluorophenyl)ethanone

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CAS Numbers: 655-15-2 , [655-15-2]

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) 2.31 1.37 -11.04 0 1 0 17 217.037 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 239° Matrix Scientific
MP 25-27° Matrix Scientific
Purity 97% Matrix Scientific
Hazard C: Corrosive; XN: Harmful Acros Organics
Warnings Corrosive/Refrigerate/Lachrymator Matrix Scientific
H phrase H314: Causes severe skin burns and eye damage; H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled; H335: May cause respiratory irritation Acros Organics
Warnings LACHRYMATOR, CORROSIVE Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P310: Immediately call a POISON CENTER or doctor/physician; P303 + P361 + P353: IF ON SKIN (or hair): T Acros Organics
R phrase R34: Causes burns.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics

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

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