UCSF

ZINC00449356

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 14 No

Popular Name: N-(3-bromophenyl)-3-oxobutanamide N-(3-bromophenyl)-3-oxobutanamide

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CAS Number: 61579-06-4

Other Names:

MFCD01001276

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) 1.72 0.23 -14.6 1 3 0 46 256.099 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 107 - 109 KeyOrganics
MP 108 - 110 Enamine Building Blocks
MP 108...110 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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