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1-Butyl-3-nitrobenzene

1-Butyl-3-nitrobenzene structure

CAS No:
20651-76-7
Formula:
C10H13NO2
Chemical Name:
1-Butyl-3-nitrobenzene
Synonyms:
Benzene,1-butyl-3-nitro-;1-Butyl-3-nitrobenzene;m-Nitrobutylbenzene;3-Nitrobutylbenzene

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1-Butyl-3-nitrobenzene Basic Attributes

Molecular Weight：

179.21572

Exact Mass：

179.22

EC Number：

243-943-5

DSSTox ID：

DTXSID60174695

Characteristics

PSA：

45.8

XLogP3：

3.9

Density：

1.0699 (estimate)

Melting Point：

1°C (estimate)

Boiling Point：

274 °C @ Press: 752 Torr

Computed Properties

Molecular Weight:179.22
XLogP3:3.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:179.094628657
Monoisotopic Mass:179.094628657
Topological Polar Surface Area:45.8
Heavy Atom Count:13
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Butyl-3-nitrobenzene

Basic Attributes
Characteristics
Computed Properties

1-Butyl-3-nitrobenzene

SDS

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