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1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate

1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate structure

CAS No:
475102-12-6
Formula:
C13H15BClNO4
Chemical Name:
1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate
Synonyms:
1H-Indole-1-carboxylic acid,2-borono-5-chloro-,1-(1,1-dimethylethyl) ester;1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate;(1-(tert-Butoxycarbonyl)-5-chloro-1H-indol-2-yl)boronic acid

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1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate Basic Attributes

Molecular Weight：

295.53

Exact Mass：

295.53

DSSTox ID：

DTXSID00400743

HScode：

2933990090

Characteristics

PSA：

71.7

XLogP3：

1.75770

Density：

1.27g/cm3

Melting Point：

129-133°C

Boiling Point：

471.4ºC at 760 mmHg

Flash Point：

238.9ºC

Refractive Index：

1.559

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Marks：

Hazard note：

Irritant

Computed Properties

Molecular Weight:295.53
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:295.0782658
Monoisotopic Mass:295.0782658
Topological Polar Surface Area:71.7
Heavy Atom Count:20
Complexity:374
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties
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1-(1,1-Dimethylethyl) 2-borono-5-chloro-1H-indole-1-carboxylate

SDS

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