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2,1,3-Benzoxadiazole,5,6-dimethyl-,1-oxide

2,1,3-Benzoxadiazole,5,6-dimethyl-,1-oxide structure

CAS No:
39132-77-9
Formula:
C8H8N2O2
Chemical Name:
2,1,3-Benzoxadiazole,5,6-dimethyl-,1-oxide
Synonyms:
5,6-dimethylbenzofurazan N-oxide;NSC172605;5,6-dimethyl-3-oxido-2,1,3-benzoxadiazol-3-ium;SCHEMBL8686150;CTK1C3126;DTXSID30305914;5,6-Dimethylbenzofurazane 1-oxide;ZINC1697593;NSC-172605;5,6-dimethyl-2,1,3-benzoxadiazole 1-oxide

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2,1,3-Benzoxadiazole,5,6-dimethyl-,1-oxide Basic Attributes

Molecular Weight：

164.164

Exact Mass：

164.059

NSC Number：

172605

DSSTox ID：

DTXSID30305914

Characteristics

PSA：

51.5

XLogP3：

2.1

Density：

1.34±0.1 g/cm3(Predicted)

Melting Point：

138-139 °C(Solv: ethanol (64-17-5))

Computed Properties

Molecular Weight:164.16
XLogP3:2.1
Hydrogen Bond Acceptor Count:3
Exact Mass:164.058577502
Monoisotopic Mass:164.058577502
Topological Polar Surface Area:51.5
Heavy Atom Count:12
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,1,3-Benzoxadiazole,5,6-dimethyl-,1-oxide

Basic Attributes
Characteristics
Computed Properties

2,1,3-Benzoxadiazole,5,6-dimethyl-,1-oxide

SDS

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