UCSF

ZINC00241706

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 3-(4-nitrophenoxy)aniline hydrochloride 3-(4-nitrophenoxy)aniline hydroc…

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CAS Numbers: 19157-81-4 , 22528-34-3

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) 2.70 5.99 -6.11 2 5 0 81 230.223 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 196 - 198 Enamine Building Blocks
MP 196...198 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0477853A1; US3946090; US4061691; US4105712; US5202488; US5382686; US5434308; WO1997013745A1 IBM Patent Data

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