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4-(1H-1,3-BENZODIAZOL-2-YL)BENZONITRILE

4-(1H-1,3-BENZODIAZOL-2-YL)BENZONITRILE structure

CAS No:
4110-15-0
Formula:
C14H9N3
Chemical Name:
4-(1H-1,3-BENZODIAZOL-2-YL)BENZONITRILE
Synonyms:
4-(1H-Benzo[d]imidazol-2-yl)benzonitrile;4-(1H-1,3-benzodiazol-2-yl)benzonitrile;4-(1h-benzimidazol-2-yl)benzonitrile;Oprea1_276435;SCHEMBL3337258;2-(4-Cyanophenyl)benzimidazole;CTK8I6487;2-(4-cyanophenyl)-1h-benzimidazole;ZINC37387640;2-(4-Cyanophenyl)-1H-benzoimidazole

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4-(1H-1,3-BENZODIAZOL-2-YL)BENZONITRILE Basic Attributes

Molecular Weight：

219.24100

Exact Mass：

219.08000

HScode：

2933990090

Characteristics

PSA：

52.47000

XLogP3：

3.10158

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:219.24
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:219.079647300
Monoisotopic Mass:219.079647300
Topological Polar Surface Area:52.5
Heavy Atom Count:17
Complexity:311
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1H-1,3-BENZODIAZOL-2-YL)BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties

4-(1H-1,3-BENZODIAZOL-2-YL)BENZONITRILE

SDS

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