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13908-98-0 | Urea, N,N''-1,4-cyclohexanediylbis[N'-(2-fluoroethyl)-N'-nitroso-, trans- (9CI)
CAS No: 13908-98-0 Catalog No: AG001A7N MDL No:
Product Description
Catalog Number:
AG001A7N
Chemical Name:
Urea, N,N''-1,4-cyclohexanediylbis[N'-(2-fluoroethyl)-N'-nitroso-, trans- (9CI)
CAS Number:
13908-98-0
Molecular Formula:
C12H20F2N6O4
Molecular Weight:
350.3218
IUPAC Name:
1-(2-fluoroethyl)-3-[4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea
InChI:
InChI=1S/C12H20F2N6O4/c13-5-7-19(17-23)11(21)15-9-1-2-10(4-3-9)16-12(22)20(18-24)8-6-14/h9-10H,1-8H2,(H,15,21)(H,16,22)
InChI Key:
DFOQHOPDQOLNOI-UHFFFAOYSA-N
SMILES:
FCCN(C(=O)N[C@@H]1CC[C@H](CC1)NC(=O)N(N=O)CCF)N=O
NSC Number:
95459
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.151g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.327g/mol
Monoisotopic Mass:
350.151g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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