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1349718-08-6

1349718-08-6 | 3-Fluoro-4-trifluoroacetamidoaniline

CAS No: 1349718-08-6 Catalog No: AG01FDII MDL No:MFCD18917104

Product Description

Catalog Number:
AG01FDII
Chemical Name:
3-Fluoro-4-trifluoroacetamidoaniline
CAS Number:
1349718-08-6
Molecular Formula:
C8H6F4N2O
Molecular Weight:
222.1397
MDL Number:
MFCD18917104
IUPAC Name:
N-(4-amino-2-fluorophenyl)-2,2,2-trifluoroacetamide
InChI:
InChI=1S/C8H6F4N2O/c9-5-3-4(13)1-2-6(5)14-7(15)8(10,11)12/h1-3H,13H2,(H,14,15)
InChI Key:
HOTQJXIFPBWRLV-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)F)NC(=O)C(F)(F)F

Properties

Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.042g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.143g/mol
Monoisotopic Mass:
222.042g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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