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126972-12-1 | 1,3,5-Triazine, 2-butoxy-4-chloro-6-(2-oxiranylmethoxy)-
CAS No: 126972-12-1 Catalog No: AG000WHP MDL No:
Product Description
Catalog Number:
AG000WHP
Chemical Name:
1,3,5-Triazine, 2-butoxy-4-chloro-6-(2-oxiranylmethoxy)-
CAS Number:
126972-12-1
Molecular Formula:
C10H14ClN3O3
Molecular Weight:
259.6895
IUPAC Name:
2-butoxy-4-chloro-6-(oxiran-2-ylmethoxy)-1,3,5-triazine
InChI:
InChI=1S/C10H14ClN3O3/c1-2-3-4-15-9-12-8(11)13-10(14-9)17-6-7-5-16-7/h7H,2-6H2,1H3
InChI Key:
CQBDYRKNVXHODA-UHFFFAOYSA-N
SMILES:
CCCCOc1nc(OCC2CO2)nc(n1)Cl
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.69g/mol
Monoisotopic Mass:
259.072g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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