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2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLICACID

2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLICACID structure

CAS No:
278782-55-1
Formula:
C22H17FN2O3
Chemical Name:
2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLICACID
Synonyms:
2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLIC ACID;4-Isoquinolinecarboxylic acid, 2-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1-oxo-3-(4-pyridinyl)-

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2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLICACID Basic Attributes

Molecular Weight：

376.38

Exact Mass：

376.12232057

DSSTox ID：

DTXSID30385079

Characteristics

PSA：

70.50000

XLogP3：

3.72410

Density：

1.363±0.06 g/cm3

Melting Point：

243 °C

Boiling Point：

596.4±50.0 °C(Predicted)

Flash Point：

314.5ºC

Refractive Index：

1.643

Water Solubility：

>56.5 [ug/mL]

Vapor Pressure：

4.52E-15mmHg at 25°C

PKA：

3.19±0.40

Computed Properties

Molecular Weight:376.4
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:376.12232057
Monoisotopic Mass:376.12232057
Topological Polar Surface Area:70.5
Heavy Atom Count:28
Complexity:572
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(4-FLUOROBENZYL)-1-OXO-3-PYRIDIN-4-YL-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLICACID

Basic Attributes
Characteristics
Computed Properties

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