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216959-91-0,MFCD05864811
Catalog No.:AA00BBQ2

216959-91-0 | 4-(Pyrimidin-5-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$50.00   $35.00
- +
1g
95%
in stock  
$57.00   $40.00
- +
5g
95%
in stock  
$242.00   $170.00
- +
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Technical Information
Catalog Number:
AA00BBQ2
Chemical Name:
4-(Pyrimidin-5-yl)benzoic acid
CAS Number:
216959-91-0
Molecular Formula:
C11H8N2O2
Molecular Weight:
200.1934
MDL Number:
MFCD05864811
SMILES:
OC(=O)c1ccc(cc1)c1cncnc1
Properties
Properties
 
BP:
419.5°C at 760 mmHg  
Form:
Solid  
MP:
316-317 °C  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.4  

Literature
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Additional Info:
SDS
Tags:216959-91-0 Molecular Formula|216959-91-0 MDL|216959-91-0 SMILES|216959-91-0 4-(Pyrimidin-5-yl)benzoic acid