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1705649-52-0 | Prometryn-d6 100 µg/mL in Acetone
CAS No: 1705649-52-0 Catalog No: AG01FO21 MDL No:
Product Description
Catalog Number:
AG01FO21
Chemical Name:
Prometryn-d6 100 µg/mL in Acetone
CAS Number:
1705649-52-0
IUPAC Name:
4-N-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)/i1D3,2D3
InChI Key:
AAEVYOVXGOFMJO-WFGJKAKNSA-N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.174g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
6
Molecular Weight:
247.394g/mol
Monoisotopic Mass:
247.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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