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13907-70-5 | Urea, 1,1'-p-phenylenebis[3-(3-chloropropyl)-3-nitroso- (8CI)
CAS No: 13907-70-5 Catalog No: AG001A4W MDL No:
Product Description
Catalog Number:
AG001A4W
Chemical Name:
Urea, 1,1'-p-phenylenebis[3-(3-chloropropyl)-3-nitroso- (8CI)
CAS Number:
13907-70-5
Molecular Formula:
C14H18Cl2N6O4
Molecular Weight:
405.2365
IUPAC Name:
1-(3-chloropropyl)-3-[4-[[3-chloropropyl(nitroso)carbamoyl]amino]phenyl]-1-nitrosourea
InChI:
InChI=1S/C14H18Cl2N6O4/c15-7-1-9-21(19-25)13(23)17-11-3-5-12(6-4-11)18-14(24)22(20-26)10-2-8-16/h3-6H,1-2,7-10H2,(H,17,23)(H,18,24)
InChI Key:
OLZITXQOSFBJLK-UHFFFAOYSA-N
SMILES:
ClCCCN(C(=O)Nc1ccc(cc1)NC(=O)N(N=O)CCCCl)N=O
NSC Number:
83103
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.077g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
405.236g/mol
Monoisotopic Mass:
404.077g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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