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1032506-81-2 | 4'-Fluoro-3'-trifluoromethyl-biphenyl-3-ylamine
CAS No: 1032506-81-2 Catalog No: AG01F9P4 MDL No:
Product Description
Catalog Number:
AG01F9P4
Chemical Name:
4'-Fluoro-3'-trifluoromethyl-biphenyl-3-ylamine
CAS Number:
1032506-81-2
Molecular Formula:
C13H9F4N
Molecular Weight:
255.2109
IUPAC Name:
3-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
InChI:
InChI=1S/C13H9F4N/c14-12-5-4-9(7-11(12)13(15,16)17)8-2-1-3-10(18)6-8/h1-7H,18H2
InChI Key:
STKPXNHMGULZKG-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.216g/mol
Monoisotopic Mass:
255.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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