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4-PYRIMIDIN-5-YL-BENZOICACIDETHYLESTER

4-PYRIMIDIN-5-YL-BENZOICACIDETHYLESTER structure

CAS No:
82525-18-6
Formula:
C13H12N2O2
Chemical Name:
4-PYRIMIDIN-5-YL-BENZOICACIDETHYLESTER
Synonyms:
ethyl 4-(pyrimidin-5-yl)benzoate;4-PYRIMIDIN-5-YL-BENZOIC ACID ETHYL ESTER;ethyl 4-pyrimidin-5-ylbenzoate;SCHEMBL2998358;CTK5E9782;DTXSID20513607;ZINC22015377;4-pyrimidin-5-ylbenzoic acid ethyl ester;4-(5-Pyrimidinyl)benzoic acid ethyl ester;4-pyrimidine-5-yl-benzoic acid ethyl ester

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4-PYRIMIDIN-5-YL-BENZOICACIDETHYLESTER Basic Attributes

Molecular Weight：

228.24700

Exact Mass：

228.09000

DSSTox ID：

DTXSID20513607

Characteristics

PSA：

52.08000

XLogP3：

2.32030

Density：

1.167 g/cm3

Boiling Point：

383.989ºC at 760 mmHg

Flash Point：

186.03ºC

Computed Properties

Molecular Weight:228.25
XLogP3:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:228.089877630
Monoisotopic Mass:228.089877630
Topological Polar Surface Area:52.1
Heavy Atom Count:17
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-PYRIMIDIN-5-YL-BENZOICACIDETHYLESTER

Basic Attributes
Characteristics
Computed Properties

4-PYRIMIDIN-5-YL-BENZOICACIDETHYLESTER

SDS

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