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126972-11-0 | 1,3,5-Triazine, 2-chloro-4,6-bis(2-oxiranylmethoxy)-
CAS No: 126972-11-0 Catalog No: AG000WHQ MDL No:
Product Description
Catalog Number:
AG000WHQ
Chemical Name:
1,3,5-Triazine, 2-chloro-4,6-bis(2-oxiranylmethoxy)-
CAS Number:
126972-11-0
Molecular Formula:
C9H10ClN3O4
Molecular Weight:
259.6464
IUPAC Name:
2-chloro-4,6-bis(oxiran-2-ylmethoxy)-1,3,5-triazine
InChI:
InChI=1S/C9H10ClN3O4/c10-7-11-8(16-3-5-1-14-5)13-9(12-7)17-4-6-2-15-6/h5-6H,1-4H2
InChI Key:
RVUCGKRCIVYJOC-UHFFFAOYSA-N
SMILES:
Clc1nc(OCC2CO2)nc(n1)OCC1CO1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.036g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.646g/mol
Monoisotopic Mass:
259.036g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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