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1-(1-Methylethoxy)-2-nitrobenzene

1-(1-Methylethoxy)-2-nitrobenzene structure

CAS No:
38753-50-3
Formula:
C9H11NO3
Chemical Name:
1-(1-Methylethoxy)-2-nitrobenzene
Synonyms:
Benzene,1-(1-methylethoxy)-2-nitro-;Ether,isopropyl o-nitrophenyl;1-(1-Methylethoxy)-2-nitrobenzene;Isopropyl o-nitrophenyl ether;2-Isopropoxynitrobenzene;o-Nitrophenyl isopropyl ether;o-Isopropoxynitrobenzene;2-(Isopropyloxy)-1-nitrobenzene;1-Isopropoxy-2-nitrobenzene;1-Nitro-2-(propan-2-yloxy)benzene;1-Nitro-2-propan-2-yloxybenzene

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1-(1-Methylethoxy)-2-nitrobenzene Basic Attributes

Molecular Weight：

181.19

Exact Mass：

181.19

DSSTox ID：

DTXSID20192032

HScode：

2909309090

Characteristics

PSA：

55.05000

XLogP3：

2.90520

Density：

1.1791 (estimate)

Boiling Point：

152 °C @ Press: 17 Torr

Refractive Index：

1.5525 (estimate)

Toxicity：

LD50 orl-rat: 2500 mg/kg MEPAAX 29,293,78

Drug Information

MeSH Entry Terms：

2-isopropoxynitrobenzene

Computed Properties

Molecular Weight:181.19
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.07389321
Monoisotopic Mass:181.07389321
Topological Polar Surface Area:55
Heavy Atom Count:13
Complexity:176
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1-Methylethoxy)-2-nitrobenzene

Basic Attributes
Characteristics
Drug Information
Computed Properties

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