UCSF

ZINC02584301

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: 2'-Fluoro-4'-methoxyacetophenone 2'-Fluoro-4'-methoxyacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 74457-86-6 , [74457-86-6]

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) 1.98 4.29 -10.28 0 2 0 26 168.167 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 50-53? Alfa-Aesar
Melting_Point 50-53° Alfa-Aesar
MP 51-53° Matrix Scientific
MP 52 TCI
MP 52 - 54 Enamine Building Blocks
MP 52...54 Enamine Building Blocks
Boiling_Point 80-85?/0.1mm Alfa-Aesar
Boiling_Point 80-85°/0.1mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 99% Matrix Scientific
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
Notes Precursor to phenethylthiazolythiourea (PETT) derivatives as potential HIV-1 reverse transcriptase inhibitors see: J. Med. Chem., 39, 4261, (1996). Apollo Scientific
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
Hazard XI: Irritant Acros Organics

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