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404-20-6 | Benzeneethanamine, α-(trifluoromethyl)-
CAS No: 404-20-6 Catalog No: AG0013NJ MDL No:MFCD01166246
Product Description
Catalog Number:
AG0013NJ
Chemical Name:
Benzeneethanamine, α-(trifluoromethyl)-
CAS Number:
404-20-6
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD01166246
IUPAC Name:
1,1,1-trifluoro-3-phenylpropan-2-amine
InChI:
InChI=1S/C9H10F3N/c10-9(11,12)8(13)6-7-4-2-1-3-5-7/h1-5,8H,6,13H2
InChI Key:
ISYDGOJLGJTVQL-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)Cc1ccccc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.181g/mol
Monoisotopic Mass:
189.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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