UCSF

ZINC02567941

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: (4-chloro-3-nitrophenyl)methanol (4-chloro-3-nitrophenyl)methanol

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CAS Numbers: 55912-20-4 , [55912-20-4]

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) 1.84 2.87 -9.41 1 4 0 66 187.582 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 62 - 64 Enamine Building Blocks
M.P 62-64 °C Indofine
Melting_Point 62-64? Alfa-Aesar
Melting_Point 62-64° Alfa-Aesar
MP 64 - 66 Enamine Building Blocks
MP 64...66 Enamine Building Blocks
MP 66 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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