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3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole

3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole structure

CAS No:
882562-40-5
Formula:
C18H11Cl2N3O2S
Chemical Name:
3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole
Synonyms:
1H-Indole,3-(2,5-dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-;3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole;3-(2,5-Dichloropyrimidin-4-yl)-1-(phenylsulfonyl)-1H-indole;1-(Benzenesulfonyl)-3-(2,5-dichloropyrimidin-4-yl)indole

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3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole Basic Attributes

Molecular Weight：

404.26984

Exact Mass：

404.27

DSSTox ID：

DTXSID20743588

HScode：

2933990090

Characteristics

PSA：

73.2

XLogP3：

4.8

Density：

1.5±0.1 g/cm3

Flash Point：

347.1±34.3 °C

Refractive Index：

1.709

3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole Use and Manufacturing

To a solution of 2, 4, 5-trichloropyrimidine (1.25 g) in dry MeCN/water (20 ml/10 ml) under nitrogen was added l-(phenylsulfonyl)-lH-indol-3-ylboronic acid (2.0 g) and NaSodium tert-butoxide (529 mg, 5.50 mmol) was added portionwise over a period of 2 minutes to a mixture of 3-(2, 5-dichloro-pyrimidin-4-yl)-1H-indole (Intermediate 11, 1.321 g, 5.0 mmol) and benzenesulfonyl chloride (0.645 mL, 5.00 mmol) in DMF (30 mL) at r.t. under N

Computed Properties

Molecular Weight:404.3
XLogP3:4.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:402.9949032
Monoisotopic Mass:402.9949032
Topological Polar Surface Area:73.2
Heavy Atom Count:26
Complexity:594
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1-(benzenesulfonyl)-3-(2,5-dichloropyriMidin-4-yl)-1H-indole

CAS No.: 882562-40-5

Content: 99.00%

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Guide of 3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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3-(2,5-Dichloro-4-pyrimidinyl)-1-(phenylsulfonyl)-1H-indole

SDS

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