UCSF

ZINC00163570

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Substance Information

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

Popular Name: 2-Methyl-3-nitrophenol 2-Methyl-3-nitrophenol

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CAS Number: 5460-31-1

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) 2.24 0.04 -7.76 1 4 0 66 153.137 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 146-148° Oakwood Chemical
Melting_Point 148-152? Alfa-Aesar
Melting_Point 148-152° Alfa-Aesar
MP 150 - 152 Enamine Building Blocks
MP 150...152 Enamine Building Blocks
MP 151 - 152 Enamine Building Blocks
MP 152 TCI
MP 152 - 152 Enamine Building Blocks
MP 152 - 154 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem

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