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9H-Purine-6-carboxylicacid,2-chloro-9-(2-chloroethyl)-

9H-Purine-6-carboxylicacid,2-chloro-9-(2-chloroethyl)- structure

CAS No:
98557-68-7
Formula:
C8H6Cl2N4O2
Chemical Name:
9H-Purine-6-carboxylicacid,2-chloro-9-(2-chloroethyl)-
Synonyms:
9H-Purine-6-carboxylic acid, 2-chloro-9-(2-chloroethyl)-;2-chloro-9-(2-chloro-ethyl)-9H-purine-6-carboxylic acid

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9H-Purine-6-carboxylicacid,2-chloro-9-(2-chloroethyl)- Basic Attributes

Molecular Weight：

261.06

Exact Mass：

259.987

Characteristics

PSA：

80.9

XLogP3：

1.4167

Density：

1.83±0.1 g/cm3

Melting Point：

206 °C (decomp)

Boiling Point：

463.8±55.0 °C(Predicted)

PKA：

-4.14±0.10

Computed Properties

Molecular Weight:261.06
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:259.9867808
Monoisotopic Mass:259.9867808
Topological Polar Surface Area:80.9
Heavy Atom Count:16
Complexity:281
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 9H-Purine-6-carboxylicacid,2-chloro-9-(2-chloroethyl)-

Basic Attributes
Characteristics
Computed Properties

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