UCSF

ZINC19616048

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 12 Yes

Popular Name: 2,5-Difluoro-4-methylbenzoic acid 2,5-Difluoro-4-methylbenzoic acid

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CAS Numbers: 103877-80-1 , [103877-80-1]

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) 2.14 4.86 -49.71 0 2 -1 40 171.122 1 ↓
Hi High (pH 8-9.5) 2.51 7.54 -94.52 5 6 2 87 429.446 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 96% Fluorochem
Warnings IRRITANT Matrix Scientific

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