sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks COMU

COMU

CAS No.:
1075198-30-9
Catalog Number:
AG0034ML
Molecular Formula:
C12H19F6N4O4P++
Molecular Weight:
428.2678
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$18
- +
25g
98%
In Stock USA
United States
$73
- +
100g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG0034ML
Chemical Name:
COMU
CAS Number:
1075198-30-9
Molecular Formula:
C12H19F6N4O4P++
Molecular Weight:
428.2678
MDL Number:
MFCD11975052
IUPAC Name:
[[(Z)-(1-cyano-2-ethoxy-2-oxoethylidene)amino]oxy-morpholin-4-ylmethylidene]-dimethylazanium;hexafluorophosphate
InChI:
InChI=1S/C12H19N4O4.F6P/c1-4-19-11(17)10(9-13)14-20-12(15(2)3)16-5-7-18-8-6-16;1-7(2,3,4,5)6/h4-8H2,1-3H3;/q+1;-1/b14-10-;
InChI Key:
GPDHNZNLPKYHCN-DZOOLQPHSA-N
SMILES:
F[P+](F)(F)(F)(F)F.CCOC(=O)/C(=N\OC(=[N+](C)C)N1CCOCC1)/C#N
Properties
Complexity:
516  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
428.105g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.272g/mol
Monoisotopic Mass:
428.105g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties