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1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate

1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate structure

CAS No:
850568-52-4
Formula:
C20H22BNO5
Chemical Name:
1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate
Synonyms:
1H-Indole-1-carboxylic acid,2-borono-4-(phenylmethoxy)-,1-(1,1-dimethylethyl) ester;1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate;[4-[(Benzyl)oxy]-1-(tert-butoxycarbonyl)-1H-indol-2-yl]boronic acid;1004552-90-2

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1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate Basic Attributes

Molecular Weight：

367.2

Exact Mass：

367.20

DSSTox ID：

DTXSID30376785

HScode：

2933990090

Characteristics

PSA：

80.9

XLogP3：

2.68330

Density：

1.17 g/cm3

Melting Point：

102-104

Boiling Point：

564.7ºC at 760 mmHg

Flash Point：

295.3ºC

Refractive Index：

1.561

Safety Information

hazard class code：

36-43

safety instructions：

26-36/37

Marks：

Hazard note：

Irritant

Computed Properties

Molecular Weight:367.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:367.1591030
Monoisotopic Mass:367.1591030
Topological Polar Surface Area:80.9
Heavy Atom Count:27
Complexity:503
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-(1,1-Dimethylethyl) 2-borono-4-(phenylmethoxy)-1H-indole-1-carboxylate

SDS

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