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1391982-13-0 | 2-Thiophenamine, 4-[3-(trifluoromethyl)phenyl]-
CAS No: 1391982-13-0 Catalog No: AG001AH1 MDL No:
Product Description
Catalog Number:
AG001AH1
Chemical Name:
2-Thiophenamine, 4-[3-(trifluoromethyl)phenyl]-
CAS Number:
1391982-13-0
Molecular Formula:
C11H8F3NS
Molecular Weight:
243.2481
IUPAC Name:
4-[3-(trifluoromethyl)phenyl]thiophen-2-amine
InChI:
InChI=1S/C11H8F3NS/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-6H,15H2
InChI Key:
ULKPEMGOFCZUBG-UHFFFAOYSA-N
SMILES:
Nc1scc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.033g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.247g/mol
Monoisotopic Mass:
243.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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