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3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium

3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium structure

CAS No:
99857-19-9
Formula:
C11H13N3O2
Chemical Name:
3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium
Synonyms:
NSC70499;3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium;SCHEMBL11653613;NSC-70499;3-butoxy-benzo[e][1,2,4]triazine-1-oxide;99857-19-9

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3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium Basic Attributes

Molecular Weight：

219.24 g/mol

Exact Mass：

219.100776666 g/mol

NSC Number：

70499

Characteristics

PSA：

60.5 Å²

XLogP3：

2.2372

Melting Point：

53 - 54 °C (aq. propan-2-ol)

Computed Properties

Molecular Weight:219.24
XLogP3:1.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:219.100776666
Monoisotopic Mass:219.100776666
Topological Polar Surface Area:60.5
Heavy Atom Count:16
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-butoxy-1-oxido-1,2,4-benzotriazin-1-ium

Basic Attributes
Characteristics
Computed Properties

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