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1-(2-nitrophenyl)-1,4-diazepane

1-(2-nitrophenyl)-1,4-diazepane structure

CAS No:
450352-64-4
Formula:
C11H15N3O2
Chemical Name:
1-(2-nitrophenyl)-1,4-diazepane

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1-(2-nitrophenyl)-1,4-diazepane Basic Attributes

Molecular Weight：

221.25600

Exact Mass：

221.116426730

DSSTox ID：

DTXSID00385248

HScode：

2933990090

Characteristics

PSA：

61.09000

XLogP3：

2.31150

Density：

1.181g/cm3

Boiling Point：

378.1ºC at 760mmHg

Flash Point：

182.4ºC

Refractive Index：

1.564

Computed Properties

Molecular Weight:221.26
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:221.116426730
Monoisotopic Mass:221.116426730
Topological Polar Surface Area:61.1
Heavy Atom Count:16
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-nitrophenyl)-1,4-diazepane

Basic Attributes
Characteristics
Computed Properties

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