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93071-75-1 | 3-(Trifluoromethoxy)benzylamine
CAS No: 93071-75-1 Catalog No: AG0033H5 MDL No:MFCD00061267
Product Description
Catalog Number:
AG0033H5
Chemical Name:
3-(Trifluoromethoxy)benzylamine
CAS Number:
93071-75-1
Molecular Formula:
C8H8F3NO
Molecular Weight:
191.1504
MDL Number:
MFCD00061267
IUPAC Name:
[3-(trifluoromethoxy)phenyl]methanamine
InChI:
InChI=1S/C8H8F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-4H,5,12H2
InChI Key:
TUPUHSXMDIWJQT-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)OC(F)(F)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.153g/mol
Monoisotopic Mass:
191.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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