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4-(1H-Benzotriazol-1-ylmethyl)benzoicacid

4-(1H-Benzotriazol-1-ylmethyl)benzoicacid structure

CAS No:
502649-51-6
Formula:
C14H11N3O2
Chemical Name:
4-(1H-Benzotriazol-1-ylmethyl)benzoicacid
Synonyms:
4-((1H-benzo[d][1,2,3]triazol-1-yl)methyl)benzoic acid;4-(1H-Benzotriazol-1-ylmethyl)benzoic acid;Benzoic acid, 4-(1H-benzotriazol-1-ylmethyl)-

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4-(1H-Benzotriazol-1-ylmethyl)benzoicacid Basic Attributes

Molecular Weight：

253.26

Exact Mass：

253.085126602

HScode：

2933990090

Characteristics

PSA：

68.01000

XLogP3：

2.17780

Density：

1.35±0.1 g/cm3

Melting Point：

143-145 °C

Boiling Point：

519.5±43.0 °C(Predicted)

PKA：

4.14±0.10

Computed Properties

Molecular Weight:253.26
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:253.085126602
Monoisotopic Mass:253.085126602
Topological Polar Surface Area:68
Heavy Atom Count:19
Complexity:329
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1H-Benzotriazol-1-ylmethyl)benzoicacid

Basic Attributes
Characteristics
Computed Properties

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