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C6640

8-Chlorotheophylline

Name: 8-Chlorotheophylline
Brand: SIGMA

Synonym(s):

8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione

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About This Item

Empirical Formula (Hill Notation):

C₇H₇ClN₄O₂

CAS Number:

85-18-7

Molecular Weight:

214.61

EC Number:

201-590-4

UNSPSC Code:

12352204

MDL number:

MFCD00005581

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Properties

mp

290 °C (dec.) (lit.)

SMILES string

CN1C(=O)N(C)c2nc(Cl)[nH]c2C1=O

InChI

1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

InChI key

RYIGNEOBDRVTHA-UHFFFAOYSA-N

Description

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