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13908-69-5 | Urea, N,N''-1,4-phenylenebis[N'-(2-chloroethyl)- (9CI)
CAS No: 13908-69-5 Catalog No: AG001A6U MDL No:
Product Description
Catalog Number:
AG001A6U
Chemical Name:
Urea, N,N''-1,4-phenylenebis[N'-(2-chloroethyl)- (9CI)
CAS Number:
13908-69-5
Molecular Formula:
C12H16Cl2N4O2
Molecular Weight:
319.1870
IUPAC Name:
1-(2-chloroethyl)-3-[4-(2-chloroethylcarbamoylamino)phenyl]urea
InChI:
InChI=1S/C12H16Cl2N4O2/c13-5-7-15-11(19)17-9-1-2-10(4-3-9)18-12(20)16-8-6-14/h1-4H,5-8H2,(H2,15,17,19)(H2,16,18,20)
InChI Key:
JWHWQBGXRFLSGK-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc(cc1)NC(=O)NCCCl
NSC Number:
80351
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.065g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
319.186g/mol
Monoisotopic Mass:
318.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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