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3-Nitro-1H-indole

3-Nitro-1H-indole structure

CAS No:
4770-03-0
Formula:
C8H6N2O2
Chemical Name:
3-Nitro-1H-indole
Synonyms:
3-Nitro-1H-indole;1H-Indole, 3-nitro-

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3-Nitro-1H-indole Basic Attributes

Molecular Weight：

162.15

Exact Mass：

162.043

DSSTox ID：

DTXSID20454566

HScode：

2933990090

Characteristics

PSA：

61.61000

XLogP3：

2.59930

Density：

1.425±0.06 g/cm3

Melting Point：

213-214 °C

Boiling Point：

362.6±15.0 °C(Predicted)

PKA：

13.96±0.30

Computed Properties

Molecular Weight:162.15
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:162.042927438
Monoisotopic Mass:162.042927438
Topological Polar Surface Area:61.6
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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Guide of 3-Nitro-1H-indole

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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