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458-46-8,MFCD00004383
Catalog No.:AA00DE9N

458-46-8 | 2-Propenoic acid, 3-(3-fluorophenyl)-

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5g
98%
in stock  
$12.00   $8.00
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25g
98%
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$23.00   $16.00
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100g
98%
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$71.00   $50.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DE9N
Chemical Name:
2-Propenoic acid, 3-(3-fluorophenyl)-
CAS Number:
458-46-8
Molecular Formula:
C9H7FO2
Molecular Weight:
166.1491
MDL Number:
MFCD00004383
SMILES:
OC(=O)C=Cc1cccc(c1)F
NSC Number:
73988
Properties
Properties
 
BP:
281.6°C at 760 mmHg  
Form:
Solid  
MP:
162-164 °C(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
189  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2  

Downstream Synthesis Route
458-46-8    20350-15-6   
CASUnavailable 

[1]Jiang,Yao-Yao;Wu,Shaochun;Wu,Yan-Wei;Gao,Yang;Chong,Daochen;Sun,Changning;Wei,Mei-Yan;Gu,Yu-Cheng;Shao,Chang-Lun;Gu,Yuchao[EuropeanJournalofMedicinalChemistry,2022,vol.240]

[2]Jiang,Yao-Yao;Wu,Shaochun;Wu,Yan-Wei;Gao,Yang;Chong,Daochen;Sun,Changning;Wei,Mei-Yan;Gu,Yu-Cheng;Shao,Chang-Lun;Gu,Yuchao[EuropeanJournalofMedicinalChemistry,2022,vol.240]

458-46-8    20350-15-6   
CASUnavailable 

[1]Jiang,Yao-Yao;Wu,Shaochun;Wu,Yan-Wei;Gao,Yang;Chong,Daochen;Sun,Changning;Wei,Mei-Yan;Gu,Yu-Cheng;Shao,Chang-Lun;Gu,Yuchao[EuropeanJournalofMedicinalChemistry,2022,vol.240]

[2]Jiang,Yao-Yao;Wu,Shaochun;Wu,Yan-Wei;Gao,Yang;Chong,Daochen;Sun,Changning;Wei,Mei-Yan;Gu,Yu-Cheng;Shao,Chang-Lun;Gu,Yuchao[EuropeanJournalofMedicinalChemistry,2022,vol.240]

Literature
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SDS
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