UCSF

ZINC12396989

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 13 Yes

Popular Name: 2-(4-bromo-1H-pyrazol-1-yl)aniline hydrochloride 2-(4-bromo-1H-pyrazol-1-yl)anili…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1170086-22-2 , 1171646-80-2

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) 2.05 -0.51 -4.76 2 3 0 44 238.088 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 225 - 227 Enamine Building Blocks
MP 225...227 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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