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

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

CAS No:
912569-60-9
Formula:
C11H9N3O
Chemical Name:
3-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole
Synonyms:
1H-Pyrazole,3-(3-isocyanatophenyl)-1-methyl-;3-(3-Isocyanatophenyl)-1-methyl-1H-pyrazole;3-(1-Methyl-1H-pyrazol-3-yl)phenyl isocyanate

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

Molecular Weight：

199.20900

Exact Mass：

199.21

DSSTox ID：

DTXSID50640334

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

Basic Attributes
Characteristics
Computed Properties

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