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4-(1,3-OXAZOL-5-YL)PHENYLISOTHIOCYANATE

4-(1,3-OXAZOL-5-YL)PHENYLISOTHIOCYANATE structure

CAS No:
321309-41-5
Formula:
C10H6N2OS
Chemical Name:
4-(1,3-OXAZOL-5-YL)PHENYLISOTHIOCYANATE
Synonyms:
4-(1,3-OXAZOL-5-YL)PHENYL ISOTHIOCYANATE;Oxazole, 5-(4-isothiocyanatophenyl)- (9CI);Oxazole, 5-(4-isothiocyanatophenyl)-

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4-(1,3-OXAZOL-5-YL)PHENYLISOTHIOCYANATE Basic Attributes

Molecular Weight：

202.23

Exact Mass：

202.02008399

DSSTox ID：

DTXSID50380061

Characteristics

Density：

1.25±0.1 g/cm3

Boiling Point：

367.0±25.0 °C(Predicted)

PKA：

0.14±0.10

Safety Information

Transport codes：

2811

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:202.23
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:202.02008399
Monoisotopic Mass:202.02008399
Topological Polar Surface Area:70.5
Heavy Atom Count:14
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-OXAZOL-5-YL)PHENYLISOTHIOCYANATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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