UCSF

ZINC00168326

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: (5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methanol (5-chloro-1-methyl-3-phenyl-1H-p…

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CAS Numbers: 321538-17-4 , [321538-17-4]

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) 2.13 -1.27 -7.55 1 3 0 38 222.675 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 130 - 133 KeyOrganics
MP 130-133° Matrix Scientific
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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