UCSF

ZINC32915201

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 11 Yes

Popular Name: 4-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine 4-Chloro-5-iodo-7H-pyrrolo[2,3-d…

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CAS Numbers: 123148-78-7 , [123148-78-7]

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) 2.37 5 -8.73 1 3 0 42 279.468 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 179-183° Oakwood Chemical
Purity 95% Fluorochem
Purity 98% Fluorochem
Melting_Point ca 180? dec. Alfa-Aesar
Melting_Point ca 180° dec. Alfa-Aesar
H phrase H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )