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Home Other Building Blocks 2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline

2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline

CAS No.:
664997-23-3
Catalog Number:
AG01A99J
Molecular Formula:
C11H9F3N2
Molecular Weight:
226.1978
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Product Description
Catalog Number:
AG01A99J
Chemical Name:
2-(1H-pyrrol-1-yl)-5-(trifluoromethyl)aniline
CAS Number:
664997-23-3
Molecular Formula:
C11H9F3N2
Molecular Weight:
226.1978
MDL Number:
MFCD00119451
IUPAC Name:
2-pyrrol-1-yl-5-(trifluoromethyl)aniline
InChI:
InChI=1S/C11H9F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h1-7H,15H2
InChI Key:
BTLPAJJJYDQMKE-UHFFFAOYSA-N
SMILES:
Nc1cc(ccc1n1cccc1)C(F)(F)F
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.202g/mol
Monoisotopic Mass:
226.072g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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
Properties