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88466-23-3 | Urea, [1-(4-chlorophenyl)-1-methylpropyl]-
CAS No: 88466-23-3 Catalog No: AG004C8J MDL No:
Product Description
Catalog Number:
AG004C8J
Chemical Name:
Urea, [1-(4-chlorophenyl)-1-methylpropyl]-
CAS Number:
88466-23-3
Molecular Formula:
C11H15ClN2O
Molecular Weight:
226.7026
IUPAC Name:
2-(4-chlorophenyl)butan-2-ylurea
InChI:
InChI=1S/C11H15ClN2O/c1-3-11(2,14-10(13)15)8-4-6-9(12)7-5-8/h4-7H,3H2,1-2H3,(H3,13,14,15)
InChI Key:
QYIHEPMFPAMMSJ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Cl)(NC(=O)N)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.704g/mol
Monoisotopic Mass:
226.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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