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5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole

5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole structure

CAS No:
941716-86-5
Formula:
C11H9N3O
Chemical Name:
5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole
Synonyms:
5-(3-isocyanatophenyl)-1-methylpyrazole;

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5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole Basic Attributes

Molecular Weight：

199.20900

Exact Mass：

199.074561919

DSSTox ID：

DTXSID00640329

HScode：

2933199090

Characteristics

PSA：

47.25000

XLogP3：

2.05440

Density：

1.17g/cm3

Boiling Point：

352.3ºC

Flash Point：

166.9ºC

Refractive Index：

1.612

Computed Properties

Molecular Weight:199.21
XLogP3:2.7
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:263
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole

Basic Attributes
Characteristics
Computed Properties

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