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3-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde

3-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde structure

CAS No:
876316-30-2
Formula:
C10H9N3O
Chemical Name:
3-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde
Synonyms:
Benzaldehyde,3-(1H-1,2,4-triazol-1-ylmethyl)-;3-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde;3-[(1H-1,2,4-Triazol-1-yl)methyl]benzaldehyde;3-(1,2,4-Triazol-1-ylmethyl)benzaldehyde

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3-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde Basic Attributes

Molecular Weight：

187.19800

Exact Mass：

187.20

DSSTox ID：

DTXSID50625202

HScode：

2933990090

Characteristics

PSA：

47.78000

XLogP3：

1.13890

Density：

1.21g/cm3

Melting Point：

54ºC

Boiling Point：

397.4ºC at 760 mmHg

Flash Point：

194.2ºC

Refractive Index：

1.624

Computed Properties

Molecular Weight:187.20
XLogP3:0.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:187.074561919
Monoisotopic Mass:187.074561919
Topological Polar Surface Area:47.8
Heavy Atom Count:14
Complexity:198
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(1H-1,2,4-Triazol-1-ylmethyl)benzaldehyde

Basic Attributes
Characteristics
Computed Properties

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