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6-Butyl-2-(4-bromophenyl)-1,3,6,2-dioxazaborocane

6-Butyl-2-(4-bromophenyl)-1,3,6,2-dioxazaborocane structure

CAS No:
1257642-68-4
Formula:
C14H21BBrNO2
Chemical Name:
6-Butyl-2-(4-bromophenyl)-1,3,6,2-dioxazaborocane
Synonyms:
4-Bromophenylboronic acid N-butyldiethanolamine ester;2-(4-Bromophenyl)-6-butyl-1,3,6,2-dioxazaborocane;CTK8F5828;DTXSID80584898;AKOS027270159;ZINC170161168;Q-7651;4-Bromophenylboronic acid N-butyldiethanolamine ester, 97%

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6-Butyl-2-(4-bromophenyl)-1,3,6,2-dioxazaborocane Basic Attributes

Molecular Weight：

326.03704

Exact Mass：

325.08500

DSSTox ID：

DTXSID80584898

Characteristics

PSA：

21.7

XLogP3：

2.23110

Density：

1.27±0.1 g/cm3(Predicted)

Melting Point：

120-124 °C

Boiling Point：

404.9±40.0 °C(Predicted)

Safety Information

Transport codes：

UN28116.1/PG3

wgk germany：

hazard class code：

safety instructions：

Marks：

Precautionary statement(s)：

P264, P270, P301+P310, P321, P330, P405, P501

Hazard Statements：

H301

Computed Properties

Molecular Weight:326.04
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:325.08487
Monoisotopic Mass:325.08487
Topological Polar Surface Area:21.7
Heavy Atom Count:19
Complexity:240
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 6-Butyl-2-(4-bromophenyl)-1,3,6,2-dioxazaborocane

Basic Attributes
Characteristics
Safety Information
Computed Properties

6-Butyl-2-(4-bromophenyl)-1,3,6,2-dioxazaborocane

SDS

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