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2-methyl-5,7-dinitroquinazolin-4(3{H})-one

2-methyl-5,7-dinitroquinazolin-4(3{H})-one structure

CAS No:
890092-86-1
Formula:
C9H6N4O5
Chemical Name:
2-methyl-5,7-dinitroquinazolin-4(3{H})-one
Synonyms:
2-methyl-5,7-dinitroquinazolin-4(3{H})-one

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2-methyl-5,7-dinitroquinazolin-4(3{H})-one Basic Attributes

Molecular Weight：

250.17

Exact Mass：

250.034

Characteristics

PSA：

137.39

XLogP3：

2.0943

Density：

1.82±0.1 g/cm3

Melting Point：

296-299 °C (decomp)(Solv: water (7732-18-5))

Boiling Point：

455.8±55.0 °C(Predicted)

PKA：

-2.00±0.20

Computed Properties

Molecular Weight:250.17
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:250.03381930
Monoisotopic Mass:250.03381930
Topological Polar Surface Area:133
Heavy Atom Count:18
Complexity:437
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-methyl-5,7-dinitroquinazolin-4(3{H})-one

Basic Attributes
Characteristics
Computed Properties

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