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123195-23-3 | Benzenemethanamine, α-methyl-4-(trifluoromethoxy)-
CAS No: 123195-23-3 Catalog No: AG000K5G MDL No:MFCD07784301
Product Description
Catalog Number:
AG000K5G
Chemical Name:
Benzenemethanamine, α-methyl-4-(trifluoromethoxy)-
CAS Number:
123195-23-3
Molecular Formula:
C9H10F3NO
Molecular Weight:
205.1770
MDL Number:
MFCD07784301
IUPAC Name:
1-[4-(trifluoromethoxy)phenyl]ethanamine
InChI:
InChI=1S/C9H10F3NO/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,13H2,1H3
InChI Key:
VTLIABOHZPSHRN-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OC(F)(F)F)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.18g/mol
Monoisotopic Mass:
205.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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