UCSF

ZINC06336798

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2006 13 Yes

Popular Name: N-(2-bromophenyl)-2-cyanoacetamide N-(2-bromophenyl)-2-cyanoacetamide

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CAS Number: 80277-87-8

Other Names:

MFCD03383383

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) 1.34 4.65 -14.3 1 3 0 53 239.072 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 136 - 138 Enamine Building Blocks
MP 136...138 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID US4393217 IBM Patent Data

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