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2-[4-(2-PYRIMIDINYLOXY)PHENYL]ACETONITRILE

2-[4-(2-PYRIMIDINYLOXY)PHENYL]ACETONITRILE structure

CAS No:
339105-55-4
Formula:
C12H9N3O
Chemical Name:
2-[4-(2-PYRIMIDINYLOXY)PHENYL]ACETONITRILE
Synonyms:
2-[4-(2-PYRIMIDINYLOXY)PHENYL]ACETONITRILE;2-(4-pyrimidin-2-yloxyphenyl)acetonitrile

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2-[4-(2-PYRIMIDINYLOXY)PHENYL]ACETONITRILE Basic Attributes

Molecular Weight：

211.22

Exact Mass：

211.074561919

DSSTox ID：

DTXSID60377427

Characteristics

Melting Point：

85-87°C

Water Solubility：

>31.7 [ug/mL]

Safety Information

Hazard category：

IRRITANT

Transport codes：

3439

hazard class code：

20/21/22-36/37/38

safety instructions：

26-36/37/39

Computed Properties

Molecular Weight:211.22
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:211.074561919
Monoisotopic Mass:211.074561919
Topological Polar Surface Area:58.8
Heavy Atom Count:16
Complexity:246
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[4-(2-PYRIMIDINYLOXY)PHENYL]ACETONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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