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3-CYANO-5-NITROBENZOICACID

3-CYANO-5-NITROBENZOICACID structure

CAS No:
98556-65-1
Formula:
C8H4N2O4
Chemical Name:
3-CYANO-5-NITROBENZOICACID
Synonyms:
3-CYANO-5-NITROBENZOIC ACID;Benzoic acid, 3-cyano-5-nitro-

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3-CYANO-5-NITROBENZOICACID Basic Attributes

Molecular Weight：

192.13

Exact Mass：

192.01710661

DSSTox ID：

DTXSID20620507

HScode：

2926909090

Characteristics

PSA：

106.91000

XLogP3：

1.68788

Density：

1.56±0.1 g/cm3

Melting Point：

170-171 °C(Solv: methanol (67-56-1))

Boiling Point：

374.2±37.0 °C(Predicted)

PKA：

2.92±0.10

Computed Properties

Molecular Weight:192.13
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:192.01710661
Monoisotopic Mass:192.01710661
Topological Polar Surface Area:107
Heavy Atom Count:14
Complexity:300
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-CYANO-5-NITROBENZOICACID

Basic Attributes
Characteristics
Computed Properties

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