UCSF

ZINC00157457

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 No

Popular Name: 3-Nitrobenzyl alcohol 3-Nitrobenzyl alcohol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 619-25-0 , [619-25-0]

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) 1.21 2.49 -8.94 1 4 0 66 153.137 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 175-180?/3mm Alfa-Aesar
Boiling_Point 175-180°/3mm Alfa-Aesar
Melting_Point 29-33? Alfa-Aesar
Melting_Point 29-33° Alfa-Aesar
MP 30 - 32 Enamine Building Blocks
MP 30-32°C Fluorochem
MP 30...32 Enamine Building Blocks
MP 31 - 32 Enamine Building Blocks
MP 32 - 32 Enamine Building Blocks
MP 32 - 34 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

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