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114377-55-8

114377-55-8 | 1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 6-fluoro-

CAS No: 114377-55-8 Catalog No: AG000B6S MDL No:

Product Description

Catalog Number:
AG000B6S
Chemical Name:
1,4,8,11-Tetraazacyclotetradecane-5,7-dione, 6-fluoro-
CAS Number:
114377-55-8
Molecular Formula:
C10H19FN4O2
Molecular Weight:
246.2819
IUPAC Name:
6-fluoro-1,4,8,11-tetrazacyclotetradecane-5,7-dione
InChI:
InChI=1S/C10H19FN4O2/c11-8-9(16)14-6-4-12-2-1-3-13-5-7-15-10(8)17/h8,12-13H,1-7H2,(H,14,16)(H,15,17)
InChI Key:
MKNBDQVTSSCBPY-UHFFFAOYSA-N
SMILES:
FC1C(=O)NCCNCCCNCCNC1=O

Properties

Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.149g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
246.286g/mol
Monoisotopic Mass:
246.149g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

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