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87919-34-4 | 3-(4-chlorophenyl)-1,1-bis(2-hydroxyethyl)urea
CAS No: 87919-34-4 Catalog No: AG004FER MDL No:
Product Description
Catalog Number:
AG004FER
Chemical Name:
3-(4-chlorophenyl)-1,1-bis(2-hydroxyethyl)urea
CAS Number:
87919-34-4
Molecular Formula:
C11H15ClN2O3
Molecular Weight:
258.7014
IUPAC Name:
3-(4-chlorophenyl)-1,1-bis(2-hydroxyethyl)urea
InChI:
InChI=1S/C11H15ClN2O3/c12-9-1-3-10(4-2-9)13-11(17)14(5-7-15)6-8-16/h1-4,15-16H,5-8H2,(H,13,17)
InChI Key:
XFXDDTFEODFCCS-UHFFFAOYSA-N
SMILES:
OCCN(C(=O)Nc1ccc(cc1)Cl)CCO
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
258.702g/mol
Monoisotopic Mass:
258.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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