Home Other Building Blocks N-(3,3,3-trifluoropropyl)aniline

N-(3,3,3-trifluoropropyl)aniline

CAS No.:
405-40-3
Catalog Number:
AG019YP6
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
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Product Description
Catalog Number:
AG019YP6
Chemical Name:
N-(3,3,3-trifluoropropyl)aniline
CAS Number:
405-40-3
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD12771211
IUPAC Name:
N-(3,3,3-trifluoropropyl)aniline
InChI:
InChI=1S/C9H10F3N/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChI Key:
NKLPAFRXRSJJAD-UHFFFAOYSA-N
SMILES:
FC(CCNc1ccccc1)(F)F
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.077g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.181g/mol
Monoisotopic Mass:
189.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties