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88452-29-3 | Urea, N-butyl-N-(phenylmethyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS No: 88452-29-3 Catalog No: AG004IN6 MDL No:
Product Description
Catalog Number:
AG004IN6
Chemical Name:
Urea, N-butyl-N-(phenylmethyl)-N'-[3-(trifluoromethyl)phenyl]-
CAS Number:
88452-29-3
Molecular Formula:
C19H21F3N2O
Molecular Weight:
350.3780
IUPAC Name:
1-benzyl-1-butyl-3-[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C19H21F3N2O/c1-2-3-12-24(14-15-8-5-4-6-9-15)18(25)23-17-11-7-10-16(13-17)19(20,21)22/h4-11,13H,2-3,12,14H2,1H3,(H,23,25)
InChI Key:
IFGCEVZHQPZOMQ-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1cccc(c1)C(F)(F)F)Cc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.161g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.385g/mol
Monoisotopic Mass:
350.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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