UCSF

ZINC01593153

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Substance Information

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

Popular Name: 1,2-Dichloro-4-methyl-5-nitrobenzene 1,2-Dichloro-4-methyl-5-nitroben…

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CAS Numbers: 7494-45-3 , [7494-45-3]

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) 3.56 1.63 -4.04 0 3 0 45 206.028 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P 36-38C Indofine
MP 57 - 59 Enamine Building Blocks
MP 57...59 Enamine Building Blocks
MP 62 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% )