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181772-08-7 | 3,5-Bis(trifluoromethyl)-benzeneethanamine
CAS No: 181772-08-7 Catalog No: AG01FBDV MDL No:MFCD06212603
Product Description
Catalog Number:
AG01FBDV
Chemical Name:
3,5-Bis(trifluoromethyl)-benzeneethanamine
CAS Number:
181772-08-7
Molecular Formula:
C10H9F6N
Molecular Weight:
257.1756
MDL Number:
MFCD06212603
IUPAC Name:
2-[3,5-bis(trifluoromethyl)phenyl]ethanamine
InChI:
InChI=1S/C10H9F6N/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5H,1-2,17H2
InChI Key:
QJNMFINEIFVNMK-UHFFFAOYSA-N
SMILES:
NCCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.179g/mol
Monoisotopic Mass:
257.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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