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2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene

2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene structure

CAS No:
36242-50-9
Formula:
C9H10N2O4
Chemical Name:
2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene
Synonyms:
2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene;Methyl 4-(methylamino)-3-nitrobenzoate;Benzoic acid, 4-(methylamino)-3-nitro-, methyl ester

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2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene Basic Attributes

Molecular Weight：

210.19

Exact Mass：

210.06405680

DSSTox ID：

DTXSID40428865

Characteristics

PSA：

84.15000

XLogP3：

2.01930

Density：

1.325±0.06 g/cm3

Melting Point：

145 °C

Boiling Point：

362.3±32.0 °C(Predicted)

PKA：

-2.72±0.25

Computed Properties

Molecular Weight:210.19
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:210.06405680
Monoisotopic Mass:210.06405680
Topological Polar Surface Area:84.2
Heavy Atom Count:15
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(methylamino)-5-(methoxycarbonyl)-3-nitrobenzene

Basic Attributes
Characteristics
Computed Properties

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