Home Other Building Blocks Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-α-(methoxymethylene)-, methyl ester, (αE)-

Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-α-(methoxymethylene)-, methyl ester, (αE)-

CAS No.:
131860-33-8
Catalog Number:
AG000ZU6
Molecular Formula:
C22H17N3O5
Molecular Weight:
403.3875
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25mg
95%
In Stock USA
United States
$60
- +
100mg
95%
In Stock USA
United States
$119
- +
500mg
95%
In Stock USA
United States
$365
- +
1g
95%
In Stock USA
United States
$641
- +
Product Description
Catalog Number:
AG000ZU6
Chemical Name:
Benzeneacetic acid, 2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]-α-(methoxymethylene)-, methyl ester, (αE)-
CAS Number:
131860-33-8
Molecular Formula:
C22H17N3O5
Molecular Weight:
403.3875
MDL Number:
MFCD08277047
IUPAC Name:
methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
InChI:
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+
InChI Key:
WFDXOXNFNRHQEC-GHRIWEEISA-N
SMILES:
CO/C=C(\c1ccccc1Oc1ncnc(c1)Oc1ccccc1C#N)/C(=O)OC
EC Number:
603-524-3
UNII:
NYH7Y08IPM
Properties
Complexity:
646  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
403.117g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.394g/mol
Monoisotopic Mass:
403.117g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
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Properties