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4-(1,3-benzothiazol-2-yl)benzonitrile

4-(1,3-benzothiazol-2-yl)benzonitrile structure

CAS No:
17930-02-8
Formula:
C14H8N2S
Chemical Name:
4-(1,3-benzothiazol-2-yl)benzonitrile
Synonyms:
4-benzothiazol-2-ylbenzenecarbonitrile; 4-benzothiazol-2-yl-benzonitrile;

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4-(1,3-benzothiazol-2-yl)benzonitrile Basic Attributes

Molecular Weight：

236.29200

Exact Mass：

236.04081944 g/mol

DSSTox ID：

DTXSID70363755

HScode：

2934999090

Characteristics

PSA：

64.92000

XLogP3：

3.83498

Density：

1.33g/cm3

Boiling Point：

426.6ºC at 760mmHg

Flash Point：

211.8ºC

Refractive Index：

1.714

Vapor Pressure：

1.75E-07mmHg at 25°C

Computed Properties

Molecular Weight:236.29
XLogP3:4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:236.04081944
Monoisotopic Mass:236.04081944
Topological Polar Surface Area:64.9
Heavy Atom Count:17
Complexity:313
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-benzothiazol-2-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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