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127733-47-5 | Benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-
CAS No: 127733-47-5 Catalog No: AG000XCR MDL No:MFCD03093012
Product Description
Catalog Number:
AG000XCR
Chemical Name:
Benzenemethanamine, α-methyl-3,5-bis(trifluoromethyl)-, (αR)-
CAS Number:
127733-47-5
Molecular Formula:
C10H9F6N
Molecular Weight:
257.1756
MDL Number:
MFCD03093012
IUPAC Name:
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine
InChI:
InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m1/s1
InChI Key:
PFVWEAYXWZFSSK-RXMQYKEDSA-N
SMILES:
C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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