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131395-17-0 | Benzenamine, 4-(2,2,2-trifluoroethyl)-
CAS No: 131395-17-0 Catalog No: AG000W2X MDL No:MFCD04972985
Product Description
Catalog Number:
AG000W2X
Chemical Name:
Benzenamine, 4-(2,2,2-trifluoroethyl)-
CAS Number:
131395-17-0
Molecular Formula:
C8H8F3N
Molecular Weight:
175.1510
MDL Number:
MFCD04972985
IUPAC Name:
4-(2,2,2-trifluoroethyl)aniline
InChI:
InChI=1S/C8H8F3N/c9-8(10,11)5-6-1-3-7(12)4-2-6/h1-4H,5,12H2
InChI Key:
DALKOEVEKVKJQX-UHFFFAOYSA-N
SMILES:
FC(Cc1ccc(cc1)N)(F)F
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.154g/mol
Monoisotopic Mass:
175.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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