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13114-87-9 | Urea, N-[3-(trifluoromethyl)phenyl]-
CAS No: 13114-87-9 Catalog No: AG000VM8 MDL No:MFCD00025424
Product Description
Catalog Number:
AG000VM8
Chemical Name:
Urea, N-[3-(trifluoromethyl)phenyl]-
CAS Number:
13114-87-9
Molecular Formula:
C8H7F3N2O
Molecular Weight:
204.1492
MDL Number:
MFCD00025424
IUPAC Name:
[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
InChI Key:
FQEIBEOBXKJAMZ-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1cccc(c1)C(F)(F)F
EC Number:
236-040-2
NSC Number:
136288
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.152g/mol
Monoisotopic Mass:
204.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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