UCSF

ZINC00388259

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 Yes

Popular Name: Phenyl benzoate Phenyl benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 15840-96-7 , 93-99-2 , [93-99-2]

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) 3.81 2.83 -7.78 0 2 0 26 198.221 3 ↓

Vendor Notes

Note Type Comments Provided By
BP [°C] 298 - 299 Acros Organics
Boiling_Point 298-299? Alfa-Aesar
Boiling_Point 298-299° Alfa-Aesar
mp 67 MolMall (formerly Molecular Diversity Preservation International)
Mp [°C] 68 - 70 Acros Organics
Melting_Point 68-70? Alfa-Aesar
Melting_Point 68-70° Alfa-Aesar
MP 69 - 72 Enamine Building Blocks
MP 69...72 Enamine Building Blocks
MP 70 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
P phrase P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
Hazard XN: Harmful Acros Organics

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