UCSF

ZINC02243471

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 11 Yes

Popular Name: 2-Chloro-4-methylbenzoic acid 2-Chloro-4-methylbenzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 186320-13-8 , 7697-25-8 , [7697-25-8]

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) 2.56 0.93 -50.26 0 2 -1 40 169.587 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 155-157° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

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