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1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one

1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one structure

CAS No:
667901-23-7
Formula:
C8H11BrN4O3
Chemical Name:
1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one
Synonyms:
667901-23-7;1-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-3,3-dimethylbutan-2-one;1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one;ZINC536196;BBL004062;STK208760;AKOS003366121;MCULE-9325911519;VS-01496;T9732

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1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one Basic Attributes

Molecular Weight：

291.10194

Exact Mass：

290.001

Characteristics

PSA：

93.6

XLogP3：

2.4

Computed Properties

Molecular Weight:291.10
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:290.00145
Monoisotopic Mass:290.00145
Topological Polar Surface Area:93.6
Heavy Atom Count:16
Complexity:299
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-{5-bromo-3-nitro-1H-1,2,4-triazol-1-yl}-3,3-dimethylbutan-2-one

Basic Attributes
Characteristics
Computed Properties

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