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13908-66-2 | Urea, 1,1'-(4-chloro-o-phenylene)bis[3-(2-chloroethyl)- (8CI)
CAS No: 13908-66-2 Catalog No: AG001A6X MDL No:
Product Description
Catalog Number:
AG001A6X
Chemical Name:
Urea, 1,1'-(4-chloro-o-phenylene)bis[3-(2-chloroethyl)- (8CI)
CAS Number:
13908-66-2
Molecular Formula:
C12H15Cl3N4O2
Molecular Weight:
353.6321
IUPAC Name:
1-[4-chloro-2-(2-chloroethylcarbamoylamino)phenyl]-3-(2-chloroethyl)urea
InChI:
InChI=1S/C12H15Cl3N4O2/c13-3-5-16-11(20)18-9-2-1-8(15)7-10(9)19-12(21)17-6-4-14/h1-2,7H,3-6H2,(H2,16,18,20)(H2,17,19,21)
InChI Key:
QESXVROQYUEKCK-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cc(Cl)ccc1NC(=O)NCCCl
NSC Number:
93495
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.026g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
353.628g/mol
Monoisotopic Mass:
352.026g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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