Home Other Building Blocks 3-iodo-4-(trifluoromethyl)aniline

3-iodo-4-(trifluoromethyl)aniline

CAS No.:
1261622-18-7
Catalog Number:
AG01BICI
Molecular Formula:
C7H5F3IN
Molecular Weight:
287.0210
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Product Description
Catalog Number:
AG01BICI
Chemical Name:
3-iodo-4-(trifluoromethyl)aniline
CAS Number:
1261622-18-7
Molecular Formula:
C7H5F3IN
Molecular Weight:
287.0210
MDL Number:
MFCD18398111
IUPAC Name:
3-iodo-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C7H5F3IN/c8-7(9,10)5-2-1-4(12)3-6(5)11/h1-3H,12H2
InChI Key:
PYSOXGITBVGUIG-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)I)C(F)(F)F
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.942g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
287.024g/mol
Monoisotopic Mass:
286.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties