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115571-09-0 | 1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CAS No: 115571-09-0 Catalog No: AG000G6M MDL No:
Product Description
Catalog Number:
AG000G6M
Chemical Name:
1,3,5-Triazin-2-amine, 4-propoxy-6-(trifluoromethyl)-
CAS Number:
115571-09-0
Molecular Formula:
C7H9F3N4O
Molecular Weight:
222.1678
IUPAC Name:
4-propoxy-6-(trifluoromethyl)-1,3,5-triazin-2-amine
InChI:
InChI=1S/C7H9F3N4O/c1-2-3-15-6-13-4(7(8,9)10)12-5(11)14-6/h2-3H2,1H3,(H2,11,12,13,14)
InChI Key:
VHLKRYIHEHNBSA-UHFFFAOYSA-N
SMILES:
CCCOc1nc(N)nc(n1)C(F)(F)F
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.073g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.171g/mol
Monoisotopic Mass:
222.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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