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4-(2,1,3-BENZOXADIAZOL-5-YLMETHOXY)BENZONITRILE

4-(2,1,3-BENZOXADIAZOL-5-YLMETHOXY)BENZONITRILE structure

CAS No:
845266-25-3
Formula:
C14H9N3O2
Chemical Name:
4-(2,1,3-BENZOXADIAZOL-5-YLMETHOXY)BENZONITRILE
Synonyms:
4-(2,1,3-benzoxadiazol-5-ylmethoxy)benzonitrile;4-(Benzo[c][1,2,5]oxadiazol-5-ylmethoxy)benzonitrile;Maybridge3_004151;Oprea1_750110;CTK5F2561;DTXSID80384895;HMS1442M15;ZINC169181;SBB100940;MCULE-6287191127

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4-(2,1,3-BENZOXADIAZOL-5-YLMETHOXY)BENZONITRILE Basic Attributes

Molecular Weight：

251.24

Exact Mass：

251.06900

DSSTox ID：

DTXSID80384895

Characteristics

PSA：

71.9

XLogP3：

2.67348

Density：

1.36g/cm3

Boiling Point：

450.9ºC at 760 mmHg

Flash Point：

226.5ºC

Refractive Index：

1.659

Computed Properties

Molecular Weight:251.24
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:251.069476538
Monoisotopic Mass:251.069476538
Topological Polar Surface Area:71.9
Heavy Atom Count:19
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(2,1,3-BENZOXADIAZOL-5-YLMETHOXY)BENZONITRILE

Basic Attributes
Characteristics
Computed Properties

4-(2,1,3-BENZOXADIAZOL-5-YLMETHOXY)BENZONITRILE

SDS

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