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1007461-76-8 | Isoproturon-d6
CAS No: 1007461-76-8 Catalog No: AG01FO1V MDL No:
Product Description
Catalog Number:
AG01FO1V
Chemical Name:
Isoproturon-d6
CAS Number:
1007461-76-8
IUPAC Name:
3-(4-propan-2-ylphenyl)-1,1-bis(trideuteriomethyl)urea
InChI:
InChI=1S/C12H18N2O/c1-9(2)10-5-7-11(8-6-10)13-12(15)14(3)4/h5-9H,1-4H3,(H,13,15)/i3D3,4D3
InChI Key:
PUIYMUZLKQOUOZ-LIJFRPJRSA-N
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.18g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
6
Molecular Weight:
212.326g/mol
Monoisotopic Mass:
212.18g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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