UCSF

ZINC04284628

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 17 No

Popular Name: methyl 2-(acetylamino)-3-nitrobenzoate methyl 2-(acetylamino)-3-nitrobe…

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CAS Numbers: 95067-27-9 , [95067-27-9]

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) 1.37 6.12 -15.14 1 7 0 101 238.199 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 120 - 121 Acros Organics
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
R phrase R36/38: Irritating to eyes and skin. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

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