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2-isothiocyanato-1-methoxy-4-nitrobenzene

2-isothiocyanato-1-methoxy-4-nitrobenzene structure

CAS No:
71793-51-6
Formula:
C8H6N2O3S
Chemical Name:
2-isothiocyanato-1-methoxy-4-nitrobenzene
Synonyms:
2-METHOXY-5-NITROPHENYL ISOTHIOCYANATE; 2-Methoxy-5-nitro-phenylisothiocyanat;

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2-isothiocyanato-1-methoxy-4-nitrobenzene Basic Attributes

Molecular Weight：

210.21000

Exact Mass：

210.00991323 g/mol

DSSTox ID：

DTXSID20334950

Characteristics

PSA：

99.50000

XLogP3：

2.86090

Density：

1.33g/cm3

Melting Point：

105ºC

Boiling Point：

388.1ºC

Flash Point：

188.5ºC

Refractive Index：

1.604

Safety Information

Transport codes：

UN 2811

hazard class code：

R20/21/22

safety instructions：

S26; S36/37/39

Marks：

Computed Properties

Molecular Weight:210.21
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:210.00991323
Monoisotopic Mass:210.00991323
Topological Polar Surface Area:99.5
Heavy Atom Count:14
Complexity:260
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-isothiocyanato-1-methoxy-4-nitrobenzene

Basic Attributes
Characteristics
Safety Information
Computed Properties

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