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

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

CAS No:
109047-45-2
Formula:
C9H8Cl2N4O2
Chemical Name:
9H-Purine-6-carboxylicacid,2-chloro-9-(2-chloroethyl)-,methylester
Synonyms:
9H-Purine-6-carboxylic acid, 2-chloro-9-(2-chloroethyl)-, methyl ester;2-chloro-9-(2-chloro-ethyl)-9H-purine-6-carboxylic acid methyl ester

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

Molecular Weight：

275.09

Exact Mass：

274.002

Characteristics

PSA：

69.9

XLogP3：

1.5051

Density：

1?+-.0.1 g/cm3

Melting Point：

189-190 °C

Boiling Point：

424.2±55.0 °C(Predicted)

PKA：

-0.72±0.10

Computed Properties

Molecular Weight:275.09
XLogP3:1.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:274.0024309
Monoisotopic Mass:274.0024309
Topological Polar Surface Area:69.9
Heavy Atom Count:17
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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