UCSF

ZINC04200355

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 14 Yes

Popular Name: 1-butyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylic acid 1-butyl-5-chloro-3-methyl-1H-pyr…

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CAS Number: 956573-62-9

Other Names:

MFCD06655124

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) 2.35 6.14 -44.89 0 4 -1 58 215.66 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 94 - 98 Enamine Building Blocks
purity 95 Enamine Building Blocks
MP 95 - 97 Enamine Building Blocks
MP 95...97 Enamine Building Blocks

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