UCSF

ZINC02033566

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 No

Popular Name: 2-chloro-3-methylbutanoic acid 2-chloro-3-methylbutanoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 105-48-6 , 26782-74-1 , 84918-96-7 , 921-08-4

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) 1.27 3.61 -41.17 0 2 -1 40 135.57 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 33 - 35 Enamine Building Blocks
MP 33...35 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID WO1997034862A1; WO1997035219A1 IBM Patent Data

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