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13907-56-7 | Urea, N,N''-1,2-cyclohexanediylbis[N'-(2-chloroethyl)-N'-nitroso-, trans- (9CI)
CAS No: 13907-56-7 Catalog No: AG001A55 MDL No:
Product Description
Catalog Number:
AG001A55
Chemical Name:
Urea, N,N''-1,2-cyclohexanediylbis[N'-(2-chloroethyl)-N'-nitroso-, trans- (9CI)
CAS Number:
13907-56-7
Molecular Formula:
C12H20Cl2N6O4
Molecular Weight:
383.2310
IUPAC Name:
1-(2-chloroethyl)-3-[(1R,2R)-2-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea
InChI:
InChI=1S/C12H20Cl2N6O4/c13-5-7-19(17-23)11(21)15-9-3-1-2-4-10(9)16-12(22)20(18-24)8-6-14/h9-10H,1-8H2,(H,15,21)(H,16,22)/t9-,10-/m1/s1
InChI Key:
PNPXJHBSAKUNFW-NXEZZACHSA-N
SMILES:
ClCCN(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)N(N=O)CCCl)N=O
NSC Number:
81170
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
382.092g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
383.23g/mol
Monoisotopic Mass:
382.092g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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