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benzotriazol-1-yl(pyridin-4-yl)methanone

benzotriazol-1-yl(pyridin-4-yl)methanone structure

CAS No:
144223-31-4
Formula:
C12H8N4O
Chemical Name:
benzotriazol-1-yl(pyridin-4-yl)methanone
Synonyms:
Methanone,1H-benzotriazol-1-yl-4-pyridinyl;

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benzotriazol-1-yl(pyridin-4-yl)methanone Basic Attributes

Molecular Weight：

224.21800

Exact Mass：

224.06981089

DSSTox ID：

DTXSID20393941

Characteristics

PSA：

60.67000

XLogP3：

1.51480

Melting Point：

149-153ºC

Safety Information

hazard class code：

R22

safety instructions：

S36

Marks：

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:224.22
XLogP3:1.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:224.06981089
Monoisotopic Mass:224.06981089
Topological Polar Surface Area:60.7
Heavy Atom Count:17
Complexity:290
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of benzotriazol-1-yl(pyridin-4-yl)methanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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