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82744-80-7 | Urea, N'-(2-chlorophenyl)-N,N-bis(2-methylpropyl)-
CAS No: 82744-80-7 Catalog No: AG008J4F MDL No:
Product Description
Catalog Number:
AG008J4F
Chemical Name:
Urea, N'-(2-chlorophenyl)-N,N-bis(2-methylpropyl)-
CAS Number:
82744-80-7
Molecular Formula:
C15H23ClN2O
Molecular Weight:
282.8089
IUPAC Name:
3-(2-chlorophenyl)-1,1-bis(2-methylpropyl)urea
InChI:
InChI=1S/C15H23ClN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChI Key:
ZKWHIHJKUJWALJ-UHFFFAOYSA-N
SMILES:
CC(CN(C(=O)Nc1ccccc1Cl)CC(C)C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.15g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.812g/mol
Monoisotopic Mass:
282.15g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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