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13041-39-9 | Urea, N-(3,4-dichlorophenyl)-N'-hexyl-
CAS No: 13041-39-9 Catalog No: AG000UEN MDL No:
Product Description
Catalog Number:
AG000UEN
Chemical Name:
Urea, N-(3,4-dichlorophenyl)-N'-hexyl-
CAS Number:
13041-39-9
Molecular Formula:
C13H18Cl2N2O
Molecular Weight:
289.2008
IUPAC Name:
1-(3,4-dichlorophenyl)-3-hexylurea
InChI:
InChI=1S/C13H18Cl2N2O/c1-2-3-4-5-8-16-13(18)17-10-6-7-11(14)12(15)9-10/h6-7,9H,2-5,8H2,1H3,(H2,16,17,18)
InChI Key:
XTRZVEIMQUXRBC-UHFFFAOYSA-N
SMILES:
CCCCCCNC(=O)Nc1ccc(c(c1)Cl)Cl
NSC Number:
108144
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.2g/mol
Monoisotopic Mass:
288.08g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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