UCSF

ZINC01666557

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 3-Methyl-2-nitroanisole 3-Methyl-2-nitroanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5345-42-6 , [5345-42-6]

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) 2.31 2.17 -10.56 0 4 0 55 167.164 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 170 / 35 TCI
MP 48 - 50 Enamine Building Blocks
Melting_Point 48-52? Alfa-Aesar
Melting_Point 48-52° Alfa-Aesar
MP 48...50 Enamine Building Blocks
MP 49 TCI
MP 49 - 50 Enamine Building Blocks
MP 50 - 50 Enamine Building Blocks
MP 50 - 52 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% 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% )