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METHYL2-[(4-FORMYL-1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE

METHYL2-[(4-FORMYL-1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE structure

CAS No:
321538-23-2
Formula:
C19H16N2O3S
Chemical Name:
METHYL2-[(4-FORMYL-1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE
Synonyms:
METHYL 2-[(4-FORMYL-1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE;Benzoic acid, 2-[(4-formyl-1-methyl-3-phenyl-1H-pyrazol-5-yl)thio]-, methyl ester

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METHYL2-[(4-FORMYL-1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE Basic Attributes

Molecular Weight：

352.41

Exact Mass：

352.08816355

HScode：

2933199090

Characteristics

PSA：

86.49000

XLogP3：

3.83740

Density：

1.24±0.1 g/cm3

Melting Point：

95-98°C

Boiling Point：

515.1±50.0 °C(Predicted)

PKA：

-1.31±0.10

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:352.4
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:352.08816355
Monoisotopic Mass:352.08816355
Topological Polar Surface Area:86.5
Heavy Atom Count:25
Complexity:470
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of METHYL2-[(4-FORMYL-1-METHYL-3-PHENYL-1H-PYRAZOL-5-YL)SULFANYL]BENZENECARBOXYLATE

Basic Attributes
Characteristics
Safety Information
Computed Properties

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