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13908-71-9 | Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-(2-chloroethyl)- (9CI)
CAS No: 13908-71-9 Catalog No: AG001A6T MDL No:
Product Description
Catalog Number:
AG001A6T
Chemical Name:
Urea, N,N''-(methylenedi-4,1-phenylene)bis[N'-(2-chloroethyl)- (9CI)
CAS Number:
13908-71-9
Molecular Formula:
C19H22Cl2N4O2
Molecular Weight:
409.3096
IUPAC Name:
1-(2-chloroethyl)-3-[4-[[4-(2-chloroethylcarbamoylamino)phenyl]methyl]phenyl]urea
InChI:
InChI=1S/C19H22Cl2N4O2/c20-9-11-22-18(26)24-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)25-19(27)23-12-10-21/h1-8H,9-13H2,(H2,22,24,26)(H2,23,25,27)
InChI Key:
NPAPTMFFWIVXJJ-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)NC(=O)NCCCl
NSC Number:
78515
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.112g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
409.311g/mol
Monoisotopic Mass:
408.112g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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