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4-isocyanato-5-methyl-1-phenylpyrazole

4-isocyanato-5-methyl-1-phenylpyrazole structure

CAS No:
799283-97-9
Formula:
C11H9N3O
Chemical Name:
4-isocyanato-5-methyl-1-phenylpyrazole
Synonyms:
5-methyl-1-phenylpyrazol-4-isocyanate; 4-Isocyanato-5-methyl-1-phenyl-1H-pyrazole;

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4-isocyanato-5-methyl-1-phenylpyrazole Basic Attributes

Molecular Weight：

199.20900

Exact Mass：

199.074561919

DSSTox ID：

DTXSID40428168

HScode：

2933199090

Characteristics

PSA：

47.25000

XLogP3：

2.14800

Density：

1.17g/cm3

Melting Point：

56-60ºC

Boiling Point：

314.4ºC

Flash Point：

143.9ºC

Refractive Index：

1.612

Safety Information

Marks：

C; T

Computed Properties

Molecular Weight:199.21
XLogP3:3.1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:199.074561919
Monoisotopic Mass:199.074561919
Topological Polar Surface Area:47.2
Heavy Atom Count:15
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-isocyanato-5-methyl-1-phenylpyrazole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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