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Substance Name: 2,8-Dichloro-1H-adenine
RN: 2914-09-2
InChIKey: KTWHRTDJQIMWMY-UHFFFAOYSA-N

Molecular Formula

  • C5-H3-Cl2-N5

Molecular Weight

  • 204.02
 
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Names and Synonyms

Synonym

  • EINECS 220-827-2

Systematic Name

  • 2,8-Dichloro-1H-adenine

Registry Numbers

CAS Registry Number

  • 2914-09-2

System Generated Number

  • 0002914092

Structure Descriptors

InChI

1S/C5H3Cl2N5/c6-4-9-1-2(8)10-5(7)12-3(1)11-4/h(H3,8,9,10,11,12)

InChIKey

KTWHRTDJQIMWMY-UHFFFAOYSA-N

Smiles

c12nc(Cl)[nH]c1c(N)nc(n2)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.560 (none)   EST
Water Solubility 500 mg/L   EXP
Atmospheric OH Rate Constant 7.03E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.