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Home > Fluorides > 827612-37-3
827612-37-3 | Urea, N-[2-(4-fluorophenyl)-1-(hydroxymethyl)ethyl]-N'-phenyl-
CAS No: 827612-37-3 Catalog No: AG004TQG MDL No:
Product Description
Catalog Number:
AG004TQG
Chemical Name:
Urea, N-[2-(4-fluorophenyl)-1-(hydroxymethyl)ethyl]-N'-phenyl-
CAS Number:
827612-37-3
Molecular Formula:
C16H17FN2O2
Molecular Weight:
288.3168
IUPAC Name:
1-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-3-phenylurea
InChI:
InChI=1S/C16H17FN2O2/c17-13-8-6-12(7-9-13)10-15(11-20)19-16(21)18-14-4-2-1-3-5-14/h1-9,15,20H,10-11H2,(H2,18,19,21)
InChI Key:
PZGKLCSGQIPRGV-UHFFFAOYSA-N
SMILES:
OCC(Cc1ccc(cc1)F)NC(=O)Nc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
288.322g/mol
Monoisotopic Mass:
288.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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