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13908-62-8 | Urea, 1,1'-(1,2-cyclohexylene)bis[3-(2-chloroethyl)-, trans- (8CI)
CAS No: 13908-62-8 Catalog No: AG001A70 MDL No:
Product Description
Catalog Number:
AG001A70
Chemical Name:
Urea, 1,1'-(1,2-cyclohexylene)bis[3-(2-chloroethyl)-, trans- (8CI)
CAS Number:
13908-62-8
Molecular Formula:
C12H22Cl2N4O2
Molecular Weight:
325.2347
IUPAC Name:
1-(2-chloroethyl)-3-[(1R,2R)-2-(2-chloroethylcarbamoylamino)cyclohexyl]urea
InChI:
InChI=1S/C12H22Cl2N4O2/c13-5-7-15-11(19)17-9-3-1-2-4-10(9)18-12(20)16-8-6-14/h9-10H,1-8H2,(H2,15,17,19)(H2,16,18,20)/t9-,10-/m1/s1
InChI Key:
CMCLQPSPSCZGRS-NXEZZACHSA-N
SMILES:
ClCCNC(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCCl
NSC Number:
81172
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
324.112g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
325.234g/mol
Monoisotopic Mass:
324.112g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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