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1007536-67-5 | Urea, N'-(3,4-dichlorophenyl)-N,N-di(methyl-d3)-
CAS No: 1007536-67-5 Catalog No: AG0002SQ MDL No:
Product Description
Catalog Number:
AG0002SQ
Chemical Name:
Urea, N'-(3,4-dichlorophenyl)-N,N-di(methyl-d3)-
CAS Number:
1007536-67-5
Molecular Formula:
C9H4Cl2D6N2O
Molecular Weight:
239.1315
IUPAC Name:
3-(3,4-dichlorophenyl)-1,1-bis(trideuteriomethyl)urea
InChI:
InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)/i1D3,2D3
InChI Key:
XMTQQYYKAHVGBJ-WFGJKAKNSA-N
SMILES:
O=C(N(C([2H])([2H])[2H])C([2H])([2H])[2H])Nc1ccc(c(c1)Cl)Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
6
Molecular Weight:
239.129g/mol
Monoisotopic Mass:
238.055g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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