UCSF

ZINC00156536

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 13 Yes

Popular Name: 4-Chloro-alpha,alpha-dimethylphenylacetic acid 4-Chloro-alpha,alpha-dimethylphe…

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CAS Number: 6258-30-6

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) 3.01 1.53 -45.03 0 2 -1 40 197.641 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 122 - 125 Enamine Building Blocks
Melting_Point 124-129? Alfa-Aesar
Melting_Point 124-129° Alfa-Aesar
MP 127 - 129 Enamine Building Blocks
MP 127...129 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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