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13908-01-5 | Urea, N-cyclohexyl-N'-(2,2,2-trifluoroethyl)-
CAS No: 13908-01-5 Catalog No: AG001A5P MDL No:
Product Description
Catalog Number:
AG001A5P
Chemical Name:
Urea, N-cyclohexyl-N'-(2,2,2-trifluoroethyl)-
CAS Number:
13908-01-5
Molecular Formula:
C9H15F3N2O
Molecular Weight:
224.2234
IUPAC Name:
1-cyclohexyl-3-(2,2,2-trifluoroethyl)urea
InChI:
InChI=1S/C9H15F3N2O/c10-9(11,12)6-13-8(15)14-7-4-2-1-3-5-7/h7H,1-6H2,(H2,13,14,15)
InChI Key:
FIHJNBMRHJQIQC-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)NCC(F)(F)F
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.227g/mol
Monoisotopic Mass:
224.114g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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