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1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HEXAMETHYLENEIMINE

1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HEXAMETHYLENEIMINE structure

CAS No:
942474-69-3
Formula:
C14 H20 N2 O4 S
Chemical Name:
1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HEXAMETHYLENEIMINE
Synonyms:
1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HEXAMETHYLENEIMINE;1-(4-ethylsulfonyl-2-nitrophenyl)azepane;1H-Azepine, 1-[4-(ethylsulfonyl)-2-nitrophenyl]hexahydro-

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1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HEXAMETHYLENEIMINE Basic Attributes

Molecular Weight：

312.38

Exact Mass：

312.11437830

Characteristics

Density：

1.251±0.06 g/cm3

Melting Point：

106-108°C

Boiling Point：

512.3±50.0 °C(Predicted)

PKA：

-0.08±0.40

Safety Information

Hazard category：

IRRITANT

Marks：

Computed Properties

Molecular Weight:312.39
XLogP3:2.7
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:312.11437830
Monoisotopic Mass:312.11437830
Topological Polar Surface Area:91.6
Heavy Atom Count:21
Complexity:447
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[4-(ETHYLSULFONYL)-2-NITROPHENYL]HEXAMETHYLENEIMINE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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