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102433-64-7 | Urea, N-(2-chloroethyl)-N'-(1-methyl-3-phenylpropyl)-
CAS No: 102433-64-7 Catalog No: AG0007GB MDL No:
Product Description
Catalog Number:
AG0007GB
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(1-methyl-3-phenylpropyl)-
CAS Number:
102433-64-7
Molecular Formula:
C13H19ClN2O
Molecular Weight:
254.7558
IUPAC Name:
1-(2-chloroethyl)-3-(4-phenylbutan-2-yl)urea
InChI:
InChI=1S/C13H19ClN2O/c1-11(16-13(17)15-10-9-14)7-8-12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,15,16,17)
InChI Key:
RTQKULLNTQFYAT-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NC(CCc1ccccc1)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.758g/mol
Monoisotopic Mass:
254.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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