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3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol

3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol structure

CAS No:
70483-69-1
Formula:
C11H14N4O5
Chemical Name:
3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol
Synonyms:
cis-3a,4,5,6,7,7a-Hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazole-6,7-diol; L634,549; 1,2-Benzisoxazole-6,7-diol,3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl);

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3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol Basic Attributes

Molecular Weight：

282.25300

Exact Mass：

282.09641956 g/mol

Characteristics

PSA：

125.69000

XLogP3：

-0.47820

Density：

1.88g/cm3

Boiling Point：

519.1ºC

Flash Point：

267.7ºC

Refractive Index：

1.801

Drug Information

MeSH Entry Terms：

cis-3a,4,5,6,7,7a-hexahydro-3-(1-methyl-5-nitro-1H-imidazol-2-yl)-1,2-benzisoxazole-6,7-diol

Computed Properties

Molecular Weight:282.25
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:282.09641956
Monoisotopic Mass:282.09641956
Topological Polar Surface Area:126
Heavy Atom Count:20
Complexity:439
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: serpiginous; dipotassium; isopropanol chemical formula; benzyl benzoate; dichlorine monoxide; iodine chloride

Guide of 3-(1-methyl-5-nitroimidazol-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole-6,7-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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