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123066-64-8 | Benzenamine, 4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-
CAS No: 123066-64-8 Catalog No: AG000K1C MDL No:MFCD00220969
Product Description
Catalog Number:
AG000K1C
Chemical Name:
Benzenamine, 4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]-
CAS Number:
123066-64-8
Molecular Formula:
C11H7F6N3
Molecular Weight:
295.1838
MDL Number:
MFCD00220969
IUPAC Name:
4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
InChI:
InChI=1S/C11H7F6N3/c12-10(13,14)8-5-9(11(15,16)17)20(19-8)7-3-1-6(18)2-4-7/h1-5H,18H2
InChI Key:
XOXBUERZFCPKDR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.188g/mol
Monoisotopic Mass:
295.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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