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87919-30-0 | 1-(4-chlorophenyl)-3-(1-hydroxybutan-2-yl)urea
CAS No: 87919-30-0 Catalog No: AG004FES MDL No:
Product Description
Catalog Number:
AG004FES
Chemical Name:
1-(4-chlorophenyl)-3-(1-hydroxybutan-2-yl)urea
CAS Number:
87919-30-0
Molecular Formula:
C11H15ClN2O2
Molecular Weight:
242.7020
IUPAC Name:
1-(4-chlorophenyl)-3-(1-hydroxybutan-2-yl)urea
InChI:
InChI=1S/C11H15ClN2O2/c1-2-9(7-15)13-11(16)14-10-5-3-8(12)4-6-10/h3-6,9,15H,2,7H2,1H3,(H2,13,14,16)
InChI Key:
WLAQZHZJODLWGO-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)Nc1ccc(cc1)Cl)CO
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
242.703g/mol
Monoisotopic Mass:
242.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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