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1-(3-Isocyanatophenyl)-1H-pyrrole

1-(3-Isocyanatophenyl)-1H-pyrrole structure

CAS No:
857283-59-1
Formula:
C11H8N2O
Chemical Name:
1-(3-Isocyanatophenyl)-1H-pyrrole
Synonyms:
1H-Pyrrole,1-(3-isocyanatophenyl)-;1-(3-Isocyanatophenyl)-1H-pyrrole

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1-(3-Isocyanatophenyl)-1H-pyrrole Basic Attributes

Molecular Weight：

184.19

Exact Mass：

184.19

DSSTox ID：

DTXSID90428158

Characteristics

Density：

1.11±0.1 g/cm3

Melting Point：

46 °C

Boiling Point：

93-96/0.3mm

PKA：

-5.63±0.70

Safety Information

Marks：

Computed Properties

Molecular Weight:184.19
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:184.063662883
Monoisotopic Mass:184.063662883
Topological Polar Surface Area:34.4
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3-Isocyanatophenyl)-1H-pyrrole

Basic Attributes
Characteristics
Safety Information
Computed Properties

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