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ethyl4-phenylthiazole-5-carboxylate

ethyl4-phenylthiazole-5-carboxylate structure

CAS No:
99822-80-7
Formula:
C12H11NO2S
Chemical Name:
ethyl4-phenylthiazole-5-carboxylate
Synonyms:
ethyl 4-phenyl-1,3-thiazole-5-carboxylate;5-Thiazolecarboxylic acid, 4-phenyl-, ethyl ester

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ethyl4-phenylthiazole-5-carboxylate Basic Attributes

Molecular Weight：

233.29

Exact Mass：

233.05104977

Characteristics

PSA：

67.43000

XLogP3：

2.98680

Density：

1.216±0.06 g/cm3

Melting Point：

90 °C

Boiling Point：

390.1±30.0 °C(Predicted)

PKA：

0.29±0.10

Safety Information

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, 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:233.29
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:233.05104977
Monoisotopic Mass:233.05104977
Topological Polar Surface Area:67.4
Heavy Atom Count:16
Complexity:241
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl4-phenylthiazole-5-carboxylate

Basic Attributes
Characteristics
Safety Information
Computed Properties

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