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35853-41-9

35853-41-9 | 2,8-Bis(trifluoromethyl)quinolin-4-ol

CAS No: 35853-41-9 Catalog No: AG003G76 MDL No:MFCD00075091

Product Description

Catalog Number:
AG003G76
Chemical Name:
2,8-Bis(trifluoromethyl)quinolin-4-ol
CAS Number:
35853-41-9
Molecular Formula:
C11H5F6NO
Molecular Weight:
281.1539
MDL Number:
MFCD00075091
IUPAC Name:
2,8-bis(trifluoromethyl)-1H-quinolin-4-one
InChI:
InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
InChI Key:
JIWHKBAFGFPZKM-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2c1cccc2C(F)(F)F)C(F)(F)F
EC Number:
252-762-0

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.157g/mol
Monoisotopic Mass:
281.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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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