CS-0180871

2-(4-Fluoro-2-methylphenyl)piperidin-4-one 2-hydroxy-2-phenylacetate

Manufacturer: ChemScene

CAS Number: 414910-13-7

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₂₀H₂₂FNO₄

Molecular Weight

359.39

Synonyms

None

SMILES

O=C(C1)CCN[C@H]1C2=C(C)C=C(F)C=C2.O[C@H](C(O)=O)C3=CC=CC=C3

Tpsa

86.63

Logp

2.93232

H Acceptors

4

H Donors

3

Rotatable Bonds

3

SAFETY INFORMATION

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Img

ChemScene

CS-0180871

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₂₀H₂₂FNO₄

Molecular Weight:
359.39

Synonyms:
None

SMILES:
O=C(C1)CCN[C@H]1C2=C(C)C=C(F)C=C2.O[C@H](C(O)=O)C3=CC=CC=C3

Tpsa:
86.63

Logp:
2.93232

H Acceptors:
4

H Donors:
3

Rotatable Bonds:
3

Img

ChemScene

CS-0180872

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Purity:
97%

MDL No:
None

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₂H₁₃NO₂

Molecular Weight:
203.24

Synonyms:
5-tert-butylisoindoline-1,3-dione

SMILES:
O=C1NC(C2=C1C=CC(C(C)(C)C)=C2)=O

Tpsa:
46.17

Logp:
1.8677

H Acceptors:
2

H Donors:
1

Rotatable Bonds:
0

Img

ChemScene

CS-0180873

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₂H₁₄FNO

Molecular Weight:
207.24

Synonyms:
Intermediate

SMILES:
O=C(C1)CCN[C@H]1C2=C(C)C=C(F)C=C2

Tpsa:
29.1

Logp:
2.12772

H Acceptors:
2

H Donors:
1

Rotatable Bonds:
1

Img

ChemScene

CS-0180874

--


Purity:
98%

MDL No:
None

Storage:
4°C

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₇H₃FN₄

Molecular Weight:
162.12

Synonyms:
5-fluoro-2H-pyrazolo[3,4-b]pyridine-3-carbonitrile

SMILES:
N#CC1=NNC2=NC=C(F)C=C21

Tpsa:
65.36

Logp:
0.96868

H Acceptors:
3

H Donors:
1

Rotatable Bonds:
0