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2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol

2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol structure

CAS No:
61785-54-4
Formula:
C12H15N5O5
Chemical Name:
2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol
Synonyms:
4-(4-Hydroxyethylpiperazinyl)-7-nitrobenzofuroxan; B2743; BENZOFURAZAN,7-(4-(2-HYDROXYETHYL)-1-PIPERAZINYL)-4-NITRO-,1-OXIDE; 1-Piperazineethanol,N-oxide; 7-(4-(2-Hydroxyethyl)-1-piperazinyl)-4-nitrobenzofurazan 1-oxide;

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2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol Basic Attributes

Molecular Weight：

309.27800

Exact Mass：

309.10731860 g/mol

NSC Number：

228101

DSSTox ID：

DTXSID30210776

Characteristics

PSA：

124.02000

XLogP3：

0.80490

Density：

1.68g/cm3

Boiling Point：

569ºC

Flash Point：

293ºC

Refractive Index：

1.736

Computed Properties

Molecular Weight:309.28
XLogP3:0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:309.10731860
Monoisotopic Mass:309.10731860
Topological Polar Surface Area:124
Heavy Atom Count:22
Complexity:400
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol

Basic Attributes
Characteristics
Computed Properties

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