200,000+ products from a single source!
sales@angenechem.com
1260677-91-5 | Benzenamine, 4-ethynyl-3-(trifluoromethyl)-
CAS No: 1260677-91-5 Catalog No: AG000R2O MDL No:
Product Description
Catalog Number:
AG000R2O
Chemical Name:
Benzenamine, 4-ethynyl-3-(trifluoromethyl)-
CAS Number:
1260677-91-5
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
IUPAC Name:
4-ethynyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C9H6F3N/c1-2-6-3-4-7(13)5-8(6)9(10,11)12/h1,3-5H,13H2
InChI Key:
WTYWCGQRDGSTEK-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1C(F)(F)F)N
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.045g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.149g/mol
Monoisotopic Mass:
185.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.